1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate
TL;DR: 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate (CAS 84245-07-8) is a chemical compound with molecular formula C21H31NO6S and molecular weight 425.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propyl 1-phenylsulfanylcyclopentane-1-carboxylate;oxalic acid
Also Known As: 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate, Cyclopentanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl ester, ethanedioate, 3-(diethylamino)propyl 1-phenylsulfanylcyclopentane-1-carbox, 3-diethylaminopropyl 1-phenylsulfanylcyclopentane-1-carboxylate; oxalic acid, 3-(diethylamino)propyl 1-phenylsulfanylcyclopentane-1-carboxylate,oxalic acid
| Molecular Formula | C21H31NO6S |
|---|---|
| Molecular Weight | 425.19 g/mol |
| LogP | 3.5222 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.1872 |
| Heavy Atoms | 29 |
| Complexity | 629.83124 |
Chemical Identifiers
| CAS Number | 84245-07-8 |
|---|---|
| SMILES | CCN(CC)CCCOC(=O)C1(CCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O |
Product Overview
1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate (CAS 84245-07-8), with molecular formula C21H31NO6S and molecular weight 425.19 g/mol. IUPAC: 3-(diethylamino)propyl 1-phenylsulfanylcyclopentane-1-carboxylate;oxalic acid.
Chemical Property Profile of 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate
Property Insights of 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate
The XLogP value of 3.5222 indicates that 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate 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 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate. Following Lipinski's Rule of Five, 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate 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 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate?
The CAS number of 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate is 84245-07-8.
What is the molecular formula of 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate?
The molecular formula of 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate is C21H31NO6S.
What is the molecular weight of 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate?
The molecular weight of 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate is 425.19 g/mol.
Where can I buy 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate?
You can request a quote for 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.