4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride
TL;DR: 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride (CAS 99756-33-9) is a chemical compound with molecular formula C31H33ClN2O2S and molecular weight 532.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
Also Known As: 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride, Ethyl 1-[2-(10-cyano-10,11-dihydrodibenzo[b,f]thiepin-10-yl)ethyl]-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1), ethyl 1-[2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate hydrochloride, RefChem:295622
| Molecular Formula | C31H33ClN2O2S |
|---|---|
| Molecular Weight | 532.20 g/mol |
| LogP | 6.56408 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1951 |
| Heavy Atoms | 37 |
| Complexity | 1267.4546 |
Chemical Identifiers
| CAS Number | 99756-33-9 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCC2(CC3=CC=CC=C3SC4=CC=CC=C42)C#N)C5=CC=CC=C5.Cl |
Product Overview
4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride (CAS 99756-33-9), with molecular formula C31H33ClN2O2S and molecular weight 532.20 g/mol. IUPAC: ethyl 1-[2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride.
Chemical Property Profile of 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride
Property Insights of 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride
The XLogP value of 6.56408 indicates that 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.33 Ų, 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride?
The CAS number of 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride is 99756-33-9.
What is the molecular formula of 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride?
The molecular formula of 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride is C31H33ClN2O2S.
What is the molecular weight of 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride?
The molecular weight of 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride is 532.20 g/mol.
Where can I buy 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride?
You can request a quote for 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinecarboxylic acid, 1-(2-(10-cyano-10,11-dihydrodibenzo(b,f)thiepin-10-yl)ethyl)-4-phenyl-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.