Basic Information | Post buying leads | Suppliers |
Name |
AH 23848 |
EINECS | N/A |
CAS No. | 81443-73-4 | Density | 1.21 g/cm3 |
PSA | 76.07000 | LogP | 4.66770 |
Solubility | DMSO: 18 mg/mL at ≤60 °C | Melting Point |
N/A |
Formula | C29H35NO5 | Boiling Point | 657.5 °C at 760 mmHg |
Molecular Weight | 477.592 | Flash Point | 351.4 °C |
Transport Information | N/A | Appearance | off-white solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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