Oxiran-2-ylmethyl 4-chlorobenzenesulfonate
TL;DR: Oxiran-2-ylmethyl 4-chlorobenzenesulfonate (CAS 6949-69-5) is a chemical compound with molecular formula C9H9ClO4S and molecular weight 247.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxiran-2-ylmethyl 4-chlorobenzenesulfonate
Also Known As: oxiran-2-ylmethyl 4-chlorobenzenesulfonate, Benzenesulfonic acid, 4-chloro-, (2S)-oxiranylmethyl ester
| Molecular Formula | C9H9ClO4S |
|---|---|
| Molecular Weight | 247.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.99101 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 6949-69-5 |
|---|---|
| SMILES | C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | OQKMEZWVWHLHIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxiran-2-ylmethyl 4-chlorobenzenesulfonate (CAS 6949-69-5), with molecular formula C9H9ClO4S and molecular weight 247.99 g/mol. IUPAC: oxiran-2-ylmethyl 4-chlorobenzenesulfonate.
Chemical Property Profile of Oxiran-2-ylmethyl 4-chlorobenzenesulfonate
Property Insights of Oxiran-2-ylmethyl 4-chlorobenzenesulfonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxiran-2-ylmethyl 4-chlorobenzenesulfonate. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxiran-2-ylmethyl 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, Oxiran-2-ylmethyl 4-chlorobenzenesulfonate 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 Oxiran-2-ylmethyl 4-chlorobenzenesulfonate?
The CAS number of Oxiran-2-ylmethyl 4-chlorobenzenesulfonate is 6949-69-5.
What is the molecular formula of Oxiran-2-ylmethyl 4-chlorobenzenesulfonate?
The molecular formula of Oxiran-2-ylmethyl 4-chlorobenzenesulfonate is C9H9ClO4S.
What is the molecular weight of Oxiran-2-ylmethyl 4-chlorobenzenesulfonate?
The molecular weight of Oxiran-2-ylmethyl 4-chlorobenzenesulfonate is 247.99 g/mol.
Where can I buy Oxiran-2-ylmethyl 4-chlorobenzenesulfonate?
You can request a quote for Oxiran-2-ylmethyl 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxiran-2-ylmethyl 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Oxiran-2-ylmethyl 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.