Benzhydryl 4-methylbenzenesulfonate
TL;DR: Benzhydryl 4-methylbenzenesulfonate (CAS 6296-28-2) is a chemical compound with molecular formula C20H18O3S and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl 4-methylbenzenesulfonate
Also Known As: Benzhydryl 4-methylbenzenesulfonate, Tamoxifen Impurity 2, Tamoxifen Impurity 3, Tamoxifen Impurity 11, benzhydryl p-toluenesulfonate
| Molecular Formula | C20H18O3S |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.09766 |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 6296-28-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | IKNSIYSFOKPVBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzhydryl 4-methylbenzenesulfonate (CAS 6296-28-2), with molecular formula C20H18O3S and molecular weight 338.10 g/mol. IUPAC: benzhydryl 4-methylbenzenesulfonate.
Chemical Property Profile of Benzhydryl 4-methylbenzenesulfonate
Property Insights of Benzhydryl 4-methylbenzenesulfonate
The XLogP value of 4.8 indicates that Benzhydryl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Benzhydryl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzhydryl 4-methylbenzenesulfonate 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 Benzhydryl 4-methylbenzenesulfonate?
The CAS number of Benzhydryl 4-methylbenzenesulfonate is 6296-28-2.
What is the molecular formula of Benzhydryl 4-methylbenzenesulfonate?
The molecular formula of Benzhydryl 4-methylbenzenesulfonate is C20H18O3S.
What is the molecular weight of Benzhydryl 4-methylbenzenesulfonate?
The molecular weight of Benzhydryl 4-methylbenzenesulfonate is 338.10 g/mol.
Where can I buy Benzhydryl 4-methylbenzenesulfonate?
You can request a quote for Benzhydryl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzhydryl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Benzhydryl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.