Phenyl phenylmethanesulfonate
TL;DR: Phenyl phenylmethanesulfonate (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.
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
Phenyl phenylmethanesulfonate (CAS 10271-81-5), with molecular formula C13H12O3S and molecular weight 248.05 g/mol. IUPAC: phenyl phenylmethanesulfonate.
Chemical Property Profile of Phenyl phenylmethanesulfonate
Property Insights of Phenyl phenylmethanesulfonate
The XLogP value of 3.0 indicates that Phenyl phenylmethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Phenyl phenylmethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl phenylmethanesulfonate 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 Phenyl phenylmethanesulfonate?
The CAS number of Phenyl phenylmethanesulfonate is 10271-81-5.
What is the molecular formula of Phenyl phenylmethanesulfonate?
The molecular formula of Phenyl phenylmethanesulfonate is C13H12O3S.
What is the molecular weight of Phenyl phenylmethanesulfonate?
The molecular weight of Phenyl phenylmethanesulfonate is 248.05 g/mol.
Where can I buy Phenyl phenylmethanesulfonate?
You can request a quote for Phenyl phenylmethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl phenylmethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl phenylmethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.