Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride
TL;DR: Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride (CAS 92971-31-8) is a chemical compound with molecular formula C8H16ClN2PS and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(aziridin-1-yl)-chloro-sulfanylidene-λ5-phosphane
Also Known As: Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride, azepan-1-yl-(aziridin-1-yl)-chloro-sulfanylidene-, azepan-1-yl-(aziridin-1-yl)-chloro-sulfanylidene-lambda5-phosphan, Phosphinothioicchloride, 1-aziridinyl(hexahydro-1H-azepin-1-yl)- (7CI)
| Molecular Formula | C8H16ClN2PS |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.04604 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 92971-31-8 |
|---|---|
| SMILES | C1CCCN(CC1)P(=S)(N2CC2)Cl |
| InChIKey | FSIRRKSPTIZPOS-UHFFFAOYSA-N |
Product Overview
Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride (CAS 92971-31-8), with molecular formula C8H16ClN2PS and molecular weight 238.05 g/mol. IUPAC: azepan-1-yl-(aziridin-1-yl)-chloro-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride
Property Insights of Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride
The XLogP value of 3.3 indicates that Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride has 0 hydrogen bond donor(s) and 3 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 Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride?
The CAS number of Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride is 92971-31-8.
What is the molecular formula of Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride?
The molecular formula of Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride is C8H16ClN2PS.
What is the molecular weight of Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride?
The molecular weight of Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride is 238.05 g/mol.
Where can I buy Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride?
You can request a quote for Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl(aziridin-1-yl)phosphinothioic chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.