![Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- structure](/static/products/881/88112-40-7.png)
Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-
TL;DR: Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- (CAS 88112-40-7) 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.
2-(benzenesulfonylmethyl)cyclobutane-1-carbonitrile
Also Known As: 2-(benzenesulfonylmethyl)cyclobutane-1-carbonitrile, Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-, 2-[(phenylsulfonyl)methyl]cyclobutanecarbonitrile, 2-[(BENZENESULFONYL)METHYL]CYCLOBUTANE-1-CARBONITRILE
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.01008 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 501.57034 |
Chemical Identifiers
| CAS Number | 88112-40-7 |
|---|---|
| SMILES | C1CC(C1CS(=O)(=O)C2=CC=CC=C2)C#N |
Product Overview
Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- (CAS 88112-40-7), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 2-(benzenesulfonylmethyl)cyclobutane-1-carbonitrile.
Chemical Property Profile of Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-
Property Insights of Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-
The XLogP value of 2.01008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-. With a topological polar surface area (TPSA) of 57.93 Ų, Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- 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 Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-?
The CAS number of Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- is 88112-40-7.
What is the molecular formula of Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-?
The molecular formula of Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- is C12H13NO2S.
What is the molecular weight of Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-?
The molecular weight of Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- is 235.07 g/mol.
Where can I buy Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-?
You can request a quote for Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.