RefChem:335311
TL;DR: RefChem:335311 (CAS 101329-96-8) is a chemical compound with molecular formula C22H33NO6S and molecular weight 439.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate;oxalic acid
Also Known As: 1-(Phenylthio)cyclohexanecarboxylic acid 3-(diethylamino)propyl ester oxalate, Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl ester, ethanedioate (1:1), 3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate, 3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate,oxalic acid, 3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate; oxalic acid
| Molecular Formula | C22H33NO6S |
|---|---|
| Molecular Weight | 439.20 g/mol |
| LogP | 3.9123 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.20285 |
| Heavy Atoms | 30 |
| Complexity | 644.85144 |
Chemical Identifiers
| CAS Number | 101329-96-8 |
|---|---|
| SMILES | CCN(CC)CCCOC(=O)C1(CCCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O |
Product Overview
RefChem:335311 (CAS 101329-96-8), with molecular formula C22H33NO6S and molecular weight 439.20 g/mol. IUPAC: 3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate;oxalic acid.
Chemical Property Profile of RefChem:335311
Property Insights of RefChem:335311
The XLogP value of 3.9123 indicates that RefChem:335311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:335311. Following Lipinski's Rule of Five, RefChem:335311 has 2 hydrogen bond donor(s) and 6 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:335311?
The CAS number of RefChem:335311 is 101329-96-8.
What is the molecular formula of RefChem:335311?
The molecular formula of RefChem:335311 is C22H33NO6S.
What is the molecular weight of RefChem:335311?
The molecular weight of RefChem:335311 is 439.20 g/mol.
Where can I buy RefChem:335311?
You can request a quote for RefChem:335311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335311?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.