![1-[Azepan-1-yl(chloro)phosphoryl]azepane structure](/static/products/969/96952-29-3.png)
1-[Azepan-1-yl(chloro)phosphoryl]azepane
TL;DR: 1-[Azepan-1-yl(chloro)phosphoryl]azepane (CAS 96952-29-3) is a chemical compound with molecular formula C12H24ClN2OP and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[azepan-1-yl(chloro)phosphoryl]azepane
Also Known As: 1-[azepan-1-yl(chloro)phosphoryl]azepane, Phosphinic chloride, bis(hexahydro-1H-azepin-1-yl)-
| Molecular Formula | C12H24ClN2OP |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.13147 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 96952-29-3 |
|---|---|
| SMILES | C1CCCN(CC1)P(=O)(N2CCCCCC2)Cl |
| InChIKey | RSGBBHYXDOFSHR-UHFFFAOYSA-N |
Product Overview
1-[Azepan-1-yl(chloro)phosphoryl]azepane (CAS 96952-29-3), with molecular formula C12H24ClN2OP and molecular weight 278.13 g/mol. IUPAC: 1-[azepan-1-yl(chloro)phosphoryl]azepane.
Chemical Property Profile of 1-[Azepan-1-yl(chloro)phosphoryl]azepane
Property Insights of 1-[Azepan-1-yl(chloro)phosphoryl]azepane
The XLogP value of 3.0 indicates that 1-[Azepan-1-yl(chloro)phosphoryl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 1-[Azepan-1-yl(chloro)phosphoryl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[Azepan-1-yl(chloro)phosphoryl]azepane 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 1-[Azepan-1-yl(chloro)phosphoryl]azepane?
The CAS number of 1-[Azepan-1-yl(chloro)phosphoryl]azepane is 96952-29-3.
What is the molecular formula of 1-[Azepan-1-yl(chloro)phosphoryl]azepane?
The molecular formula of 1-[Azepan-1-yl(chloro)phosphoryl]azepane is C12H24ClN2OP.
What is the molecular weight of 1-[Azepan-1-yl(chloro)phosphoryl]azepane?
The molecular weight of 1-[Azepan-1-yl(chloro)phosphoryl]azepane is 278.13 g/mol.
Where can I buy 1-[Azepan-1-yl(chloro)phosphoryl]azepane?
You can request a quote for 1-[Azepan-1-yl(chloro)phosphoryl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[Azepan-1-yl(chloro)phosphoryl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[Azepan-1-yl(chloro)phosphoryl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.