2-溴-4-氯苯基苯磺酸酯
TL;DR: 2-溴-4-氯苯基苯磺酸酯 (CAS 13659-16-0) is a chemical compound with molecular formula C12H8BrClO3S and molecular weight 345.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴-4-氯苯基苯磺酸酯
(2-bromo-4-chlorophenyl) benzenesulfonate
Also Known As: (2-bromo-4-chlorophenyl) benzenesulfonate, Benzenesulfonic acid, 2-bromo-4-chlorophenyl ester, 2-bromo-4-chlorophenyl benzenesulfonate, Benzenesulfonic acid,2-bromo-4-chlorophenyl ester, RefChem:325531
| Molecular Formula | C12H8BrClO3S |
|---|---|
| Molecular Weight | 345.91 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.90662 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 13659-16-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Br |
| InChIKey | GHBSPGHFHCNOMH-UHFFFAOYSA-N |
Product Overview
2-溴-4-氯苯基苯磺酸酯 (CAS 13659-16-0), with molecular formula C12H8BrClO3S and molecular weight 345.91 g/mol. IUPAC: (2-bromo-4-chlorophenyl) benzenesulfonate.
Chemical Property Profile of 2-溴-4-氯苯基苯磺酸酯
Property Insights of 2-溴-4-氯苯基苯磺酸酯
The XLogP value of 4.3 indicates that 2-溴-4-氯苯基苯磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-溴-4-氯苯基苯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴-4-氯苯基苯磺酸酯 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 2-溴-4-氯苯基苯磺酸酯?
The CAS number of 2-溴-4-氯苯基苯磺酸酯 is 13659-16-0.
What is the molecular formula of 2-溴-4-氯苯基苯磺酸酯?
The molecular formula of 2-溴-4-氯苯基苯磺酸酯 is C12H8BrClO3S.
What is the molecular weight of 2-溴-4-氯苯基苯磺酸酯?
The molecular weight of 2-溴-4-氯苯基苯磺酸酯 is 345.91 g/mol.
Where can I buy 2-溴-4-氯苯基苯磺酸酯?
You can request a quote for 2-溴-4-氯苯基苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴-4-氯苯基苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-溴-4-氯苯基苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.