RefChem:1095475
TL;DR: RefChem:1095475 (CAS 22935-76-8) is a chemical compound with molecular formula C18H27N2O5PS and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] azepane-1-carboxylate
Also Known As: AI3-27665, Phosphorothioic acid, O,O-diethyl O-(4-(((((hexahydro-1H-azepin-1-yl)carbonyl)oxy)imino)methyl)phenyl) ester
| Molecular Formula | C18H27N2O5PS |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 4.7094 |
| Topological Polar Surface Area | 69.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.13782 |
| Heavy Atoms | 27 |
| Complexity | 650.22076 |
Chemical Identifiers
| CAS Number | 22935-76-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC=C(C=C1)/C=N/OC(=O)N2CCCCCC2 |
Product Overview
RefChem:1095475 (CAS 22935-76-8), with molecular formula C18H27N2O5PS and molecular weight 414.14 g/mol. IUPAC: [(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] azepane-1-carboxylate.
Chemical Property Profile of RefChem:1095475
Property Insights of RefChem:1095475
The XLogP value of 4.7094 indicates that RefChem:1095475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.59 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095475. Following Lipinski's Rule of Five, RefChem:1095475 has 0 hydrogen bond donor(s) and 7 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:1095475?
The CAS number of RefChem:1095475 is 22935-76-8.
What is the molecular formula of RefChem:1095475?
The molecular formula of RefChem:1095475 is C18H27N2O5PS.
What is the molecular weight of RefChem:1095475?
The molecular weight of RefChem:1095475 is 414.14 g/mol.
Where can I buy RefChem:1095475?
You can request a quote for RefChem:1095475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095475?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.