Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI)
TL;DR: Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) (CAS 22965-04-4) is a chemical compound with molecular formula C6H12Cl2NPS and molecular weight 230.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-dichloro-sulfanylidene-λ5-phosphane
Also Known As: azepan-1-yl-dichloro-sulfanylidene, azepan-1-yl-dichloro-sulfanylidene-, Azepan-1-ylphosphonothioic dichloride, azepan-1-yl-dichloro-sulfanylidene-, E5-phosphane
| Molecular Formula | C6H12Cl2NPS |
|---|---|
| Molecular Weight | 230.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.98051 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 22965-04-4 |
|---|---|
| SMILES | C1CCCN(CC1)P(=S)(Cl)Cl |
| InChIKey | BKCMEFBJAXKPNE-UHFFFAOYSA-N |
Product Overview
Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) (CAS 22965-04-4), with molecular formula C6H12Cl2NPS and molecular weight 230.98 g/mol. IUPAC: azepan-1-yl-dichloro-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI)
Property Insights of Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI)
The XLogP value of 4.1 indicates that Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) has 0 hydrogen bond donor(s) and 2 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 Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI)?
The CAS number of Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) is 22965-04-4.
What is the molecular formula of Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI)?
The molecular formula of Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) is C6H12Cl2NPS.
What is the molecular weight of Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI)?
The molecular weight of Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) is 230.98 g/mol.
Where can I buy Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI)?
You can request a quote for Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI)?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioicdichloride, (hexahydro-1H-azepin-1-yl)-(7CI,8CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.