Oxiran-2-ylmethyl 4-bromobenzenesulfonate
TL;DR: Oxiran-2-ylmethyl 4-bromobenzenesulfonate (CAS 6949-34-4) is a chemical compound with molecular formula C9H9BrO4S and molecular weight 291.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxiran-2-ylmethyl 4-bromobenzenesulfonate
Also Known As: oxiran-2-ylmethyl 4-bromobenzenesulfonate
| Molecular Formula | C9H9BrO4S |
|---|---|
| Molecular Weight | 291.94 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.9405 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 6949-34-4 |
|---|---|
| SMILES | C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | HKIQPUXWQXDDKA-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-bromobenzenesulfonate (CAS 6949-34-4), with molecular formula C9H9BrO4S and molecular weight 291.94 g/mol. IUPAC: oxiran-2-ylmethyl 4-bromobenzenesulfonate.
Chemical Property Profile of Oxiran-2-ylmethyl 4-bromobenzenesulfonate
Property Insights of Oxiran-2-ylmethyl 4-bromobenzenesulfonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxiran-2-ylmethyl 4-bromobenzenesulfonate. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxiran-2-ylmethyl 4-bromobenzenesulfonate. Following Lipinski's Rule of Five, Oxiran-2-ylmethyl 4-bromobenzenesulfonate 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-bromobenzenesulfonate?
The CAS number of Oxiran-2-ylmethyl 4-bromobenzenesulfonate is 6949-34-4.
What is the molecular formula of Oxiran-2-ylmethyl 4-bromobenzenesulfonate?
The molecular formula of Oxiran-2-ylmethyl 4-bromobenzenesulfonate is C9H9BrO4S.
What is the molecular weight of Oxiran-2-ylmethyl 4-bromobenzenesulfonate?
The molecular weight of Oxiran-2-ylmethyl 4-bromobenzenesulfonate is 291.94 g/mol.
Where can I buy Oxiran-2-ylmethyl 4-bromobenzenesulfonate?
You can request a quote for Oxiran-2-ylmethyl 4-bromobenzenesulfonate 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-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Oxiran-2-ylmethyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.