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81443-73-4

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Basic Information
CAS No.: 81443-73-4
Name: AH 23848
Molecular Structure:
Molecular Structure of 81443-73-4 (AH 23848)
Formula: C29H35NO5
Molecular Weight: 477.592
Synonyms: BRN 4279184;4-Heptenoic acid,7-[(1R,2R,5S)-5-([1,1'- biphenyl]-4-ylmethoxy)-2-(4-morpholinyl)-3- oxocyclopentyl]-,(4Z)-rel-;(E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid;4-Heptenoic acid, 7-(5-((1,1-biphenyl)-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-, (1-alpha(Z),2-beta,5-alpha)-(+-)-;(4E)-7-[5-(Biphenyl-4-ylmethoxy)-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid;
Density: 1.21 g/cm3
Boiling Point: 657.5 °C at 760 mmHg
Flash Point: 351.4 °C
Solubility: DMSO: 18 mg/mL at ≤60 °C
Appearance: off-white solid
PSA: 76.07000
LogP: 4.66770
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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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    4-Heptenoic acid, 7-[(1R,2R,5S)-5-([1,1'-biphenyl]-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyclopentyl]-, (4Z)-rel-

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Specification

The AH 23848, with the CAS registry number 81443-73-4, is also known as 4-Heptenoic acid, 7-(5-((1,1-biphenyl)-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-, (1-alpha(Z),2-beta,5-alpha)-(+-)-. This chemical's molecular formula is C29H35NO5 and molecular weight is 477.598. What's more, its IUPAC name is (E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid. Its classification codes are: (1)Anti-arrhythmia agents; (2)Cardiovascular Agents; (3)Drug / Therapeutic Agent; (4)Reproductive Effect.

Physical properties of AH 23848 are: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 66.05; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 341.19; (8)ACD/KOC (pH 7.4): 7.58; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 135.07 cm3; (15)Molar Volume: 393.2 cm3; (16)Polarizability: 53.54×10-24cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 351.4 °C; (20)Enthalpy of Vaporization: 101.7 kJ/mol; (21)Boiling Point: 657.5 °C at 760 mmHg; (22)Vapour Pressure: 3.5E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CCC=CCCC(=O)O
(2)Isomeric SMILES: C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C/CCC(=O)O
(3)InChI: InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1+
(4)InChIKey: IOFUFYLETVNNRF-OWOJBTEDSA-N