RefChem:1095473
TL;DR: RefChem:1095473 (CAS 22941-86-2) is a chemical compound with molecular formula C18H30N3O5PS and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] N-[2-(diethylamino)ethyl]carbamate
Also Known As: Phosphorothioic acid, O,O-diethyl O-(4-((((((2-(diethylamino)ethyl)amino)carbonyl)oxy)imino)methyl)phenyl) ester, [(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] N-(2-diethylaminoethyl)carbamate, RefChem:1095473
| Molecular Formula | C18H30N3O5PS |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 3.7648 |
| Topological Polar Surface Area | 81.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 431.16437 |
| Heavy Atoms | 28 |
| Complexity | 643.1261 |
Chemical Identifiers
| CAS Number | 22941-86-2 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)O/N=C/C1=CC=C(C=C1)OP(=S)(OCC)OCC |
Product Overview
RefChem:1095473 (CAS 22941-86-2), with molecular formula C18H30N3O5PS and molecular weight 431.16 g/mol. IUPAC: [(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] N-[2-(diethylamino)ethyl]carbamate.
Chemical Property Profile of RefChem:1095473
Property Insights of RefChem:1095473
The XLogP value of 3.7648 indicates that RefChem:1095473 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.62 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095473. Following Lipinski's Rule of Five, RefChem:1095473 has 1 hydrogen bond donor(s) and 8 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:1095473?
The CAS number of RefChem:1095473 is 22941-86-2.
What is the molecular formula of RefChem:1095473?
The molecular formula of RefChem:1095473 is C18H30N3O5PS.
What is the molecular weight of RefChem:1095473?
The molecular weight of RefChem:1095473 is 431.16 g/mol.
Where can I buy RefChem:1095473?
You can request a quote for RefChem:1095473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095473?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.