CAS No.141702-36-5,Faropenem daloxate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141702-36-5
Name:	Faropenem daloxate

Formula:	C₁₇H₁₉NO₈S
Molecular Weight:	397.40
Synonyms:	Faropenem daloxate;Faropenem medoxil;Faropenem medoxomil;
Density:	1.559 g/cm³
Boiling Point:	622.306 °C at 760 mmHg
Flash Point:	330.159 °C
Appearance:	White powder.
PSA:	144.72000
LogP:	0.82500

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Specification

The IUPAC name of Faropenem daloxate is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate. With the CAS registry number 141702-36-5, it is also named as Faropenem medoxomil. The product's classification code is Treatment of bacterial infections, and the other registry number is 159616-15-6. Besides, it is white powder. In addition, its molecular formula is C₁₇H₁₉NO₈S and molecular weight is 397.40.

The other characteristics of Faropenem daloxate can be summarized as: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 48.61; (8)ACD/KOC (pH 7.4): 48.61; (9)H bond acceptors: 9; (10)H bond donors: 1; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 125.9 Å²; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 92.15 cm³; (15)Molar Volume: 254.8 cm³; (16)Polarizability: 36.53×10^-24cm³; (17)Surface Tension: 70.1 dyne/cm; (18)Density: 1.55 g/cm³; (19)Flash Point: 330.2 °C; (20)Enthalpy of Vaporization: 105.69 kJ/mol; (21)Boiling Point: 622.3 °C at 760 mmHg; (22)Vapour Pressure: 4.3E-18 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2N1/C(=C(\S[C@@H]1[C@H]2[C@H](O)C)[C@@H]3OCCC3)C(=O)OCC=4OC(=O)OC=4C
(2)InChI:InChI=1/C17H19NO8S/c1-7(19)11-14(20)18-12(13(27-15(11)18)9-4-3-5-23-9)16(21)24-6-10-8(2)25-17(22)26-10/h7,9,11,15,19H,3-6H2,1-2H3/t7-,9-,11+,15-/m1/s1
(3)InChIKey:JQBKWZPHJOEQAO-DVPVEWDBBI
(4)Std. InChI:InChI=1S/C17H19NO8S/c1-7(19)11-14(20)18-12(13(27-15(11)18)9-4-3-5-23-9)16(21)24-6-10-8(2)25-17(22)26-10/h7,9,11,15,19H,3-6H2,1-2H3/t7-,9-,11+,15-/m1/s1
(5)Std. InChIKey:JQBKWZPHJOEQAO-DVPVEWDBSA-N