2-(Chloromethyl)-1-(phenylsulfonyl)aziridine
TL;DR: 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine (CAS 831-49-2) is a chemical compound with molecular formula C9H10ClNO2S and molecular weight 231.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-2-(chloromethyl)aziridine
Also Known As: 2-(chloromethyl)-1-(phenylsulfonyl)aziridine, 1-(benzenesulfonyl)-2-(chloromethyl)aziridine, 1-benzenesulfonyl-2-(chloromethyl)aziridine, 1-(Phenylsulfonyl)-2-(chloromethyl)aziridine, J1.449.968G
| Molecular Formula | C9H10ClNO2S |
|---|---|
| Molecular Weight | 231.01 g/mol |
| LogP | 1.2983 |
| Topological Polar Surface Area | 37.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.01208 |
| Heavy Atoms | 14 |
| Complexity | 417.6979 |
Chemical Identifiers
| CAS Number | 831-49-2 |
|---|---|
| SMILES | C1C(N1S(=O)(=O)C2=CC=CC=C2)CCl |
Product Overview
2-(Chloromethyl)-1-(phenylsulfonyl)aziridine (CAS 831-49-2), with molecular formula C9H10ClNO2S and molecular weight 231.01 g/mol. IUPAC: 1-(benzenesulfonyl)-2-(chloromethyl)aziridine.
Chemical Property Profile of 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine
Property Insights of 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine
The XLogP value of 1.2983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine. With a topological polar surface area (TPSA) of 37.15 Ų, 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine has 0 hydrogen bond donor(s) and 2 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 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine?
The CAS number of 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine is 831-49-2.
What is the molecular formula of 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine?
The molecular formula of 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine is C9H10ClNO2S.
What is the molecular weight of 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine?
The molecular weight of 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine is 231.01 g/mol.
Where can I buy 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine?
You can request a quote for 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-1-(phenylsulfonyl)aziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.