4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride
TL;DR: 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride (CAS 74422-45-0) is a chemical compound with molecular formula C29H38ClNO3 and molecular weight 483.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-oxo-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)butyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
Also Known As: 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride, 4-Piperidinecarboxylicacid,1-(4-oxo-4- -4-phenyl-,ethylester,hydrochloride, Ethyl 1-[4-oxo-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)butyl]-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1), ethyl 1-[4-oxo-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)butyl]-4-phenylpiperidine-4-carboxylate hydrochloride, ethyl 1-[4-oxo-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)butyl]-4-phenylpiperidine-4-carboxylate,hydrochloride
| Molecular Formula | C29H38ClNO3 |
|---|---|
| Molecular Weight | 483.25 g/mol |
| LogP | 5.9371 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.25403 |
| Heavy Atoms | 34 |
| Complexity | 951.103 |
Chemical Identifiers
| CAS Number | 74422-45-0 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCCC(=O)C2=CC3=C(CCCCC3)C=C2)C4=CC=CC=C4.Cl |
Product Overview
4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride (CAS 74422-45-0), with molecular formula C29H38ClNO3 and molecular weight 483.25 g/mol. IUPAC: ethyl 1-[4-oxo-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)butyl]-4-phenylpiperidine-4-carboxylate;hydrochloride.
Chemical Property Profile of 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride
Property Insights of 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride
The XLogP value of 5.9371 indicates that 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride has 0 hydrogen bond donor(s) and 4 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-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride?
The CAS number of 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride is 74422-45-0.
What is the molecular formula of 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride?
The molecular formula of 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride is C29H38ClNO3.
What is the molecular weight of 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride?
The molecular weight of 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride is 483.25 g/mol.
Where can I buy 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride?
You can request a quote for 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride 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-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinecarboxylic acid, 1-(4-oxo-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)butyl)-4-phenyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.