Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride
TL;DR: Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride (CAS 84245-08-9) is a chemical compound with molecular formula C18H28ClNO2S and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate;hydrochloride
Also Known As: Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride, 1-(Phenylthio)cyclohexanecarboxylic acid 3-(dimethylamino)propyl ester hydrochloride, Cyclohexanecarboxylicacid,1- -,3- propylester,hydrochloride, 3-(dimethylamino)propyl 1-phenylsulfanylcyclohexane-1-carbox, 3-(dimethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate hydrochloride
| Molecular Formula | C18H28ClNO2S |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 4.3983 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.15292 |
| Heavy Atoms | 23 |
| Complexity | 461.3492 |
Chemical Identifiers
| CAS Number | 84245-08-9 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C1(CCCCC1)SC2=CC=CC=C2.Cl |
Product Overview
Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride (CAS 84245-08-9), with molecular formula C18H28ClNO2S and molecular weight 357.15 g/mol. IUPAC: 3-(dimethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride
Property Insights of Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride
The XLogP value of 4.3983 indicates that Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl 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, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride has 0 hydrogen bond donor(s) and 4 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 Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride?
The CAS number of Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride is 84245-08-9.
What is the molecular formula of Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride?
The molecular formula of Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride is C18H28ClNO2S.
What is the molecular weight of Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride?
The molecular weight of Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride is 357.15 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride?
You can request a quote for Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl 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, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.