RefChem:1084709
TL;DR: RefChem:1084709 (CAS 14106-90-2) is a chemical compound with molecular formula C30H34ClNO2 and molecular weight 475.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4,4-diphenylbut-3-enyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Isonipecotic acid, 1-(4,4-diphenyl-3-butenyl)-4-phenyl-, ethyl ester, hydrochloride, 1-(4,4-Diphenyl-3-butenyl)-4-phenylisonipecotic acid ethyl ester hydrochloride, 4-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-butenyl)-4-phenyl-, ethyl ester hydrochloride, ethyl 1-(4,4-diphenylbut-3-enyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride, 4-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-butenyl)-4-phenyl-, ethyl ester, hydrochloride
| Molecular Formula | C30H34ClNO2 |
|---|---|
| Molecular Weight | 475.23 g/mol |
| LogP | 1.69 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.2278 |
| Heavy Atoms | 34 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 14106-90-2 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
| InChIKey | OSOPBCVPYLWOCU-UHFFFAOYSA-N |
Product Overview
RefChem:1084709 (CAS 14106-90-2), with molecular formula C30H34ClNO2 and molecular weight 475.23 g/mol. IUPAC: ethyl 1-(4,4-diphenylbut-3-enyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:1084709
Property Insights of RefChem:1084709
The XLogP value of 1.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084709. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1084709 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084709 has 1 hydrogen bond donor(s) and 3 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:1084709?
The CAS number of RefChem:1084709 is 14106-90-2.
What is the molecular formula of RefChem:1084709?
The molecular formula of RefChem:1084709 is C30H34ClNO2.
What is the molecular weight of RefChem:1084709?
The molecular weight of RefChem:1084709 is 475.23 g/mol.
Where can I buy RefChem:1084709?
You can request a quote for RefChem:1084709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084709?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.