RefChem:1095255
TL;DR: RefChem:1095255 (CAS 17963-68-7) is a chemical compound with molecular formula C15H13ClNO2PS and molecular weight 337.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)-ethoxyphosphinothioyl]oxybenzonitrile
Also Known As: (p-Chlorophenyl)phosphonothioic acid O-ethyl ester O-ester with p-hydroxybenzonitrile, Phosphonothioic acid, (p-chlorophenyl)-, O-ethyl ester, O-ester with p-hydroxybenzonitrile, 4-[(4-chlorophenyl)-ethoxyphosphinothioyl]oxybenzonitrile, O-(4-cyanophenyl) O-ethyl (4-chlorophenyl)phosphonothioate, RefChem:1095255
| Molecular Formula | C15H13ClNO2PS |
|---|---|
| Molecular Weight | 337.01 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.0093 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 17963-68-7 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)C#N |
| InChIKey | GCUAAPLYOJTVGX-UHFFFAOYSA-N |
Product Overview
RefChem:1095255 (CAS 17963-68-7), with molecular formula C15H13ClNO2PS and molecular weight 337.01 g/mol. IUPAC: 4-[(4-chlorophenyl)-ethoxyphosphinothioyl]oxybenzonitrile.
Chemical Property Profile of RefChem:1095255
Property Insights of RefChem:1095255
The XLogP value of 4.9 indicates that RefChem:1095255 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095255. Following Lipinski's Rule of Five, RefChem:1095255 has 0 hydrogen bond donor(s) and 4 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 RefChem:1095255?
The CAS number of RefChem:1095255 is 17963-68-7.
What is the molecular formula of RefChem:1095255?
The molecular formula of RefChem:1095255 is C15H13ClNO2PS.
What is the molecular weight of RefChem:1095255?
The molecular weight of RefChem:1095255 is 337.01 g/mol.
Where can I buy RefChem:1095255?
You can request a quote for RefChem:1095255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095255?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.