CAS No.4354-76-1,PODOPHYLLOTOXIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4354-76-1
Name:	PODOPHYLLOTOXIN
Article Data:	20

Formula:	C₂₂H₂₂O₈
Molecular Weight:	414.412
Synonyms:	(5R,5AR,8AR,9R)-9-HYDROXY-5-(3,4,5-TRIMETHOXY-PHENYL)-5,8,8A,9-TETRAHYDRO-5AH-FURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6-ONE;PODOPHYLLOTOXIN(P);Podophyllotoxin;5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one;9-Hydroxy-5-(3,4,5-trimethoxy-phenyl)-5,8,8a,9-tetrahydro-5aH-furo[3',4',6,7]naphtho[2,3-d][1,3]dioxol-6-on;C(1)-Epimeres von Podophyllotoxin;Podophyllotoxin;Picropodophyllin;9-hydroxy-5-(3,4,5-trimethoxy-phenyl)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one;PODOPHYLLIC ACID LACTONE;
EINECS:	208-250-4
Density:	1.37 g/cm³
Melting Point:	183-184 °C(lit.)
Boiling Point:	597.9 °C at 760 mmHg
Flash Point:	210.2 °C
Appearance:	White crystalline powder
Hazard Symbols:	T
Risk Codes:	21-25-36/37/38
Safety:	36/37/39-45
Transport Information:	UN 3462 6.1/PG 2
PSA:	92.68000
LogP:	2.40920

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Specification

The Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5alphaH)-one, 5,8,8alpha,9-, with CAS registry number 4354-76-1, belongs to the following product categories: Anti-viral Compounds; Anti-virals; Inhibitors; Intermediates & Fine Chemicals; Non-nucleoside Reverse Transcriptase; Pharmaceuticals. It has the systematic name of (5R,5alphaR,8alphaR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8alpha,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5alphaH)-one. This chemical is a kind of white crystalline powder. And it should be stored at the temperature of 2-8°C. This chemical is mainly used as a potent inhibitor of microtubule assembly.

Physical properties of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5alphaH)-one, 5,8,8a,9-: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.345; (4)ACD/LogD (pH 7.4): 2.345; (5)ACD/BCF (pH 5.5): 35.633; (6)ACD/BCF (pH 7.4): 35.633; (7)ACD/KOC (pH 5.5): 449.188; (8)ACD/KOC (pH 7.4): 449.188; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 104.282 cm³; (14)Molar Volume: 302.394 cm³; (15)Surface Tension: 52.765 dyne/cm; (16)Density: 1.37 g/cm³; (17)Flash Point: 210.181 °C; (18)Enthalpy of Vaporization: 93.645 kJ/mol; (19)Boiling Point: 597.92 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritates to eyes, respiratory system and skin. It is harmful in contact with skin. And it is toxic by inhalation, in contact with skin and if swallowed. When use it, you must wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4
(2)InChI: InChI=1/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
(3)InChIKey: YJGVMLPVUAXIQN-XVVDYKMHBO
(4)Std. InChI: InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
(5)Std. InChIKey: YJGVMLPVUAXIQN-XVVDYKMHSA-N