1-(Benzenesulfonyl)cyclopentane-1-carbonitrile
TL;DR: 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile (CAS 170803-75-5) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)cyclopentane-1-carbonitrile
Also Known As: 1-(benzenesulfonyl)cyclopentane-1-carbonitrile, 1-(phenylsulfonyl)cyclopentanecarbonitrile, 1-benzenesulfonyl-cyclopentanecarbonitrile, 1-(benzenesulfonyl)cyclopentanecarbonitrile
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.29668 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 507.6998 |
Chemical Identifiers
| CAS Number | 170803-75-5 |
|---|---|
| SMILES | C1CCC(C1)(C#N)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
1-(Benzenesulfonyl)cyclopentane-1-carbonitrile (CAS 170803-75-5), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 1-(benzenesulfonyl)cyclopentane-1-carbonitrile.
Chemical Property Profile of 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile
Property Insights of 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile
The XLogP value of 2.29668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile has 0 hydrogen bond donor(s) and 3 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-(Benzenesulfonyl)cyclopentane-1-carbonitrile?
The CAS number of 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile is 170803-75-5.
What is the molecular formula of 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile?
The molecular formula of 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile is C12H13NO2S.
What is the molecular weight of 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile?
The molecular weight of 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile is 235.07 g/mol.
Where can I buy 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile?
You can request a quote for 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)cyclopentane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.