Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
TL;DR: Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride (CAS 119585-14-7) is a chemical compound with molecular formula C23H34Cl3NO2 and molecular weight 461.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] cyclohexanecarboxylate;hydrochloride
Also Known As: Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride, 4-(Azepan-1-yl)-2-(3,4-dichlorophenyl)butyl cyclohexanecarboxylate--hydrogen chloride (1/1), [4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] cyclohexanecarboxylate hydrochloride, RefChem:1070034
| Molecular Formula | C23H34Cl3NO2 |
|---|---|
| Molecular Weight | 461.17 g/mol |
| LogP | 6.8884 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.1655 |
| Heavy Atoms | 29 |
| Complexity | 626.549 |
Chemical Identifiers
| CAS Number | 119585-14-7 |
|---|---|
| SMILES | C1CCCN(CC1)CCC(COC(=O)C2CCCCC2)C3=CC(=C(C=C3)Cl)Cl.Cl |
Product Overview
Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride (CAS 119585-14-7), with molecular formula C23H34Cl3NO2 and molecular weight 461.17 g/mol. IUPAC: [4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] cyclohexanecarboxylate;hydrochloride.
Chemical Property Profile of Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
Property Insights of Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
The XLogP value of 6.8884 indicates that Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride?
The CAS number of Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride is 119585-14-7.
What is the molecular formula of Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride?
The molecular formula of Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride is C23H34Cl3NO2.
What is the molecular weight of Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride?
The molecular weight of Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride is 461.17 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride?
You can request a quote for Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.