1-(苯磺酰基)环戊烷甲酸甲酯
TL;DR: 1-(苯磺酰基)环戊烷甲酸甲酯 (CAS 160790-18-1) is a chemical compound with molecular formula C13H16O4S and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(苯磺酰基)环戊烷甲酸甲酯
methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate
Also Known As: methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate, Cyclopentanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester, 1-(Phenylsulfonyl)cyclopentanecarboxylic acid methyl ester, 1-(Phenylsulfonyl)cyclopentane-1-carboxylic acid methyl ester
| Molecular Formula | C13H16O4S |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.07693 |
| Heavy Atoms | 18 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 160790-18-1 |
|---|---|
| SMILES | COC(=O)C1(CCCC1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | AXNXBYAMXGSWLR-UHFFFAOYSA-N |
Product Overview
1-(苯磺酰基)环戊烷甲酸甲酯 (CAS 160790-18-1), with molecular formula C13H16O4S and molecular weight 268.08 g/mol. IUPAC: methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate.
Chemical Property Profile of 1-(苯磺酰基)环戊烷甲酸甲酯
Property Insights of 1-(苯磺酰基)环戊烷甲酸甲酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(苯磺酰基)环戊烷甲酸甲酯. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(苯磺酰基)环戊烷甲酸甲酯. Following Lipinski's Rule of Five, 1-(苯磺酰基)环戊烷甲酸甲酯 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 1-(苯磺酰基)环戊烷甲酸甲酯?
The CAS number of 1-(苯磺酰基)环戊烷甲酸甲酯 is 160790-18-1.
What is the molecular formula of 1-(苯磺酰基)环戊烷甲酸甲酯?
The molecular formula of 1-(苯磺酰基)环戊烷甲酸甲酯 is C13H16O4S.
What is the molecular weight of 1-(苯磺酰基)环戊烷甲酸甲酯?
The molecular weight of 1-(苯磺酰基)环戊烷甲酸甲酯 is 268.08 g/mol.
Where can I buy 1-(苯磺酰基)环戊烷甲酸甲酯?
You can request a quote for 1-(苯磺酰基)环戊烷甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(苯磺酰基)环戊烷甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 1-(苯磺酰基)环戊烷甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.