苯基苯基甲磺酸酯
TL;DR: 苯基苯基甲磺酸酯 (CAS 10271-81-5) is a chemical compound with molecular formula C13H12O3S and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基苯基甲磺酸酯
phenyl phenylmethanesulfonate
Also Known As: phenyl phenylmethanesulfonate, Phenyl benzenemethanesulfonate, Benzenemethanesulfonicacid, phenyl ester, Phenylmethanesulfonic acid phenyl ester, Benzenemethanesulfonic acid phenyl ester
| Molecular Formula | C13H12O3S |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.05072 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 10271-81-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)OC2=CC=CC=C2 |
| InChIKey | DTVYDCGCCHOJMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基苯基甲磺酸酯 (CAS 10271-81-5), with molecular formula C13H12O3S and molecular weight 248.05 g/mol. IUPAC: phenyl phenylmethanesulfonate.
Chemical Property Profile of 苯基苯基甲磺酸酯
Property Insights of 苯基苯基甲磺酸酯
The XLogP value of 3.0 indicates that 苯基苯基甲磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 苯基苯基甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基苯基甲磺酸酯 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 苯基苯基甲磺酸酯?
The CAS number of 苯基苯基甲磺酸酯 is 10271-81-5.
What is the molecular formula of 苯基苯基甲磺酸酯?
The molecular formula of 苯基苯基甲磺酸酯 is C13H12O3S.
What is the molecular weight of 苯基苯基甲磺酸酯?
The molecular weight of 苯基苯基甲磺酸酯 is 248.05 g/mol.
Where can I buy 苯基苯基甲磺酸酯?
You can request a quote for 苯基苯基甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基苯基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苯基苯基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.