RefChem:1095274
TL;DR: RefChem:1095274 (CAS 17963-69-8) is a chemical compound with molecular formula C16H16NO2PS and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethoxy-(4-methylphenyl)phosphinothioyl]oxybenzonitrile
Also Known As: p-Tolylphosphonothioic acid O-ethyl ester O-ester with p-hydroxybenzonitrile, Phosphonothioic acid, p-tolyl-, O-ethyl ester, O-ester with p-hydroxybenzonitrile, 4-[ethoxy-(4-methylphenyl)phosphinothioyl]oxybenzonitrile, O-(4-Cyanophenyl) O-ethyl (4-methylphenyl)phosphonothioate, RefChem:1095274
| Molecular Formula | C16H16NO2PS |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.06393 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 17963-69-8 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=C(C=C1)C)OC2=CC=C(C=C2)C#N |
| InChIKey | XFKKPERTAQYQGY-UHFFFAOYSA-N |
Product Overview
RefChem:1095274 (CAS 17963-69-8), with molecular formula C16H16NO2PS and molecular weight 317.06 g/mol. IUPAC: 4-[ethoxy-(4-methylphenyl)phosphinothioyl]oxybenzonitrile.
Chemical Property Profile of RefChem:1095274
Property Insights of RefChem:1095274
The XLogP value of 4.7 indicates that RefChem:1095274 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:1095274. Following Lipinski's Rule of Five, RefChem:1095274 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:1095274?
The CAS number of RefChem:1095274 is 17963-69-8.
What is the molecular formula of RefChem:1095274?
The molecular formula of RefChem:1095274 is C16H16NO2PS.
What is the molecular weight of RefChem:1095274?
The molecular weight of RefChem:1095274 is 317.06 g/mol.
Where can I buy RefChem:1095274?
You can request a quote for RefChem:1095274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095274?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.