RefChem:335310
TL;DR: RefChem:335310 (CAS 101329-97-9) is a chemical compound with molecular formula C21H29NO7S and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate;oxalic acid
Also Known As: 1-(Phenylthio)cyclohexanecarboxylic acid 2-morpholinoethyl ester oxalate, Cyclohexanecarboxylic acid, 1-(phenylthio)-, 2-morpholinoethyl ester, ethanedioate (1:1), 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate, 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate,oxalic acid, 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate; oxalic acid
| Molecular Formula | C21H29NO7S |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 2.5126 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.16647 |
| Heavy Atoms | 30 |
| Complexity | 673.8551 |
Chemical Identifiers
| CAS Number | 101329-97-9 |
|---|---|
| SMILES | C1CCC(CC1)(C(=O)OCCN2CCOCC2)SC3=CC=CC=C3.C(=O)(C(=O)O)O |
Product Overview
RefChem:335310 (CAS 101329-97-9), with molecular formula C21H29NO7S and molecular weight 439.17 g/mol. IUPAC: 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate;oxalic acid.
Chemical Property Profile of RefChem:335310
Property Insights of RefChem:335310
The XLogP value of 2.5126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:335310. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:335310. Following Lipinski's Rule of Five, RefChem:335310 has 2 hydrogen bond donor(s) and 7 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:335310?
The CAS number of RefChem:335310 is 101329-97-9.
What is the molecular formula of RefChem:335310?
The molecular formula of RefChem:335310 is C21H29NO7S.
What is the molecular weight of RefChem:335310?
The molecular weight of RefChem:335310 is 439.17 g/mol.
Where can I buy RefChem:335310?
You can request a quote for RefChem:335310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335310?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.