CAS No.107534-93-0,Anwuligan Suppliers

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Basic Information

Molecular Structure:
CAS No.:	107534-93-0
Name:	Anwuligan
Article Data:	3

Formula:	C₂₀H₂₄O₄
Molecular Weight:	328.408
Synonyms:	Phenol,4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-, [S-(R,S)]-;Phenol,4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-;Macelignan;
Density:	1.159 g/cm³
Melting Point:	70-71℃
Boiling Point:	466.966 °C at 760 mmHg
Flash Point:	236.213 °C
PSA:	47.92000
LogP:	4.18690

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Specification

The (+)-Anwulignan, with the CAS registry number 107534-93-0, is also known as Phenol,4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-. This chemical's molecular formula is C₂₀H₂₄O₄ and molecular weight is 328.402. What's more, its systematic name is 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol.

Physical properties of (+)-Anwulignan are: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/BCF (pH 5.5): 5449; (5)ACD/BCF (pH 7.4): 5441; (6)ACD/KOC (pH 5.5): 16446; (7)ACD/KOC (pH 7.4): 16420; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 47.92 Å²; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 93.46 cm³; (14)Molar Volume: 283.342 cm³; (15)Surface Tension: 45.766 dyne/cm; (16)Density: 1.159 g/cm³; (17)Flash Point: 236.213 °C; (18)Enthalpy of Vaporization: 75.675 kJ/mol; (19)Boiling Point: 466.966 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c2ccc(cc2OC1)C[C@@H](C)[C@@H](C)Cc3ccc(O)c(OC)c3
(2)InChI: InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
(3)InChIKey: QDDILOVMGWUNGD-UONOGXRCSA-N