RefChem:1087632
TL;DR: RefChem:1087632 (CAS 14170-88-8) is a chemical compound with molecular formula C31H34ClNO2 and molecular weight 487.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenyl-1-[(E)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethenyl]piperidin-1-ium-4-carboxylate chloride
Also Known As: Isonipecotic acid, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-phenyl-,ethyl ester, hydrochloride, ISONIPECOTIC ACID, 1-(2-(10,11-DIHYDRO-5H-DIBENZO(a,d)CYCLOHEPTEN-5-YLIDENE)ETHY, 4-Piperidinecarboxylic acid, 1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)ethyl]-4-phenyl-, ethyl ester, hydrochloride, RefChem:1087632
| Molecular Formula | C31H34ClNO2 |
|---|---|
| Molecular Weight | 487.23 g/mol |
| LogP | 1.6146 |
| Topological Polar Surface Area | 30.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.2278 |
| Heavy Atoms | 35 |
| Complexity | 1117.8654 |
Chemical Identifiers
| CAS Number | 14170-88-8 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)/C=C/C2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5.[Cl-] |
Product Overview
RefChem:1087632 (CAS 14170-88-8), with molecular formula C31H34ClNO2 and molecular weight 487.23 g/mol. IUPAC: ethyl 4-phenyl-1-[(E)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethenyl]piperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:1087632
Property Insights of RefChem:1087632
The XLogP value of 1.6146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1087632. With a topological polar surface area (TPSA) of 30.74 Ų, RefChem:1087632 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1087632 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1087632?
The CAS number of RefChem:1087632 is 14170-88-8.
What is the molecular formula of RefChem:1087632?
The molecular formula of RefChem:1087632 is C31H34ClNO2.
What is the molecular weight of RefChem:1087632?
The molecular weight of RefChem:1087632 is 487.23 g/mol.
Where can I buy RefChem:1087632?
You can request a quote for RefChem:1087632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087632?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.