Caswell No. 859A
TL;DR: Caswell No. 859A (CAS 875610-72-3) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: Caswell No. 859A, (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile, (2Z)-3-[(4-Methylphenyl)sulfonyl]prop-2-enenitrile, (2Z)-3-(4-Methylbenzene-1-sulfonyl)prop-2-enenitrile
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 1.806 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 477.84845 |
Chemical Identifiers
| CAS Number | 875610-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C=C\C#N |
Product Overview
Caswell No. 859A (CAS 875610-72-3), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: (Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of Caswell No. 859A
Property Insights of Caswell No. 859A
The XLogP value of 1.806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caswell No. 859A. With a topological polar surface area (TPSA) of 57.93 Ų, Caswell No. 859A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Caswell No. 859A 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 Caswell No. 859A?
The CAS number of Caswell No. 859A is 875610-72-3.
What is the molecular formula of Caswell No. 859A?
The molecular formula of Caswell No. 859A is C10H9NO2S.
What is the molecular weight of Caswell No. 859A?
The molecular weight of Caswell No. 859A is 207.04 g/mol.
Where can I buy Caswell No. 859A?
You can request a quote for Caswell No. 859A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caswell No. 859A?
Yes, KEHONG BIO provides custom synthesis services for Caswell No. 859A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.