Ent 27227
TL;DR: Ent 27227 (CAS 4081-32-7) is a chemical compound with molecular formula C11H13ClNO3PS and molecular weight 305.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[chloromethyl(ethoxy)phosphinothioyl]oxy-3-methoxybenzonitrile
Also Known As: Stauffer B-11110, ENT 27227, ENT 27,227, B-11110, O-(4-Cyano-2-methoxyphenyl) O-ethyl(chloromethyl)phosphonothioate
| Molecular Formula | C11H13ClNO3PS |
|---|---|
| Molecular Weight | 305.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.00424 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 4081-32-7 |
|---|---|
| SMILES | CCOP(=S)(CCl)OC1=C(C=C(C=C1)C#N)OC |
| InChIKey | KVPDTNOBCPYEMW-UHFFFAOYSA-N |
Product Overview
Ent 27227 (CAS 4081-32-7), with molecular formula C11H13ClNO3PS and molecular weight 305.00 g/mol. IUPAC: 4-[chloromethyl(ethoxy)phosphinothioyl]oxy-3-methoxybenzonitrile.
Chemical Property Profile of Ent 27227
Property Insights of Ent 27227
The XLogP value of 3.8 indicates that Ent 27227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ent 27227. Following Lipinski's Rule of Five, Ent 27227 has 0 hydrogen bond donor(s) and 5 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 Ent 27227?
The CAS number of Ent 27227 is 4081-32-7.
What is the molecular formula of Ent 27227?
The molecular formula of Ent 27227 is C11H13ClNO3PS.
What is the molecular weight of Ent 27227?
The molecular weight of Ent 27227 is 305.00 g/mol.
Where can I buy Ent 27227?
You can request a quote for Ent 27227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ent 27227?
Yes, KEHONG BIO provides custom synthesis services for Ent 27227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.