2-Benzhydrylsulfanylacetate
TL;DR: 2-Benzhydrylsulfanylacetate (CAS 63547-22-8) is a chemical compound with molecular formula C15H13O2S- and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzhydrylsulfanylacetate
Also Known As: 2-benzhydrylsulfanylacetate, 2-[(Diphenylmethyl)thio]acetic acid
| Molecular Formula | C15H13O2S- |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.2591 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.06363 |
| Heavy Atoms | 18 |
| Complexity | 456.91675 |
Chemical Identifiers
| CAS Number | 63547-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)[O-] |
Product Overview
2-Benzhydrylsulfanylacetate (CAS 63547-22-8), with molecular formula C15H13O2S- and molecular weight 257.06 g/mol. IUPAC: 2-benzhydrylsulfanylacetate.
Chemical Property Profile of 2-Benzhydrylsulfanylacetate
Property Insights of 2-Benzhydrylsulfanylacetate
The XLogP value of 2.2591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzhydrylsulfanylacetate. With a topological polar surface area (TPSA) of 40.13 Ų, 2-Benzhydrylsulfanylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzhydrylsulfanylacetate 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-Benzhydrylsulfanylacetate?
The CAS number of 2-Benzhydrylsulfanylacetate is 63547-22-8.
What is the molecular formula of 2-Benzhydrylsulfanylacetate?
The molecular formula of 2-Benzhydrylsulfanylacetate is C15H13O2S-.
What is the molecular weight of 2-Benzhydrylsulfanylacetate?
The molecular weight of 2-Benzhydrylsulfanylacetate is 257.06 g/mol.
Where can I buy 2-Benzhydrylsulfanylacetate?
You can request a quote for 2-Benzhydrylsulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzhydrylsulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzhydrylsulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.