n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide
TL;DR: n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide (CAS 98919-68-7) is a chemical compound with molecular formula C9H13ClN3OP and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Also Known As: N-(4-chlorophenyl)-2-oxo-1,3,2, n-(4-chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide, J2.370.456K, 2-(4-Chloroanilino)-1,3,2lambda~5~-diazaphosphinan-2-one, 2-(4-Chloroanilino)hexahydro-1,3,2-diazaphosphorine-2-one
| Molecular Formula | C9H13ClN3OP |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.04848 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 98919-68-7 |
|---|---|
| SMILES | C1CNP(=O)(NC1)NC2=CC=C(C=C2)Cl |
| InChIKey | XBHKCLLGVSWPPF-UHFFFAOYSA-N |
Product Overview
n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide (CAS 98919-68-7), with molecular formula C9H13ClN3OP and molecular weight 245.05 g/mol. IUPAC: N-(4-chlorophenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-amine.
Chemical Property Profile of n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide
Property Insights of n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide. With a topological polar surface area (TPSA) of 53.2 Ų, n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide has 3 hydrogen bond donor(s) and 4 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 n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide?
The CAS number of n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide is 98919-68-7.
What is the molecular formula of n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide?
The molecular formula of n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide is C9H13ClN3OP.
What is the molecular weight of n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide?
The molecular weight of n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide is 245.05 g/mol.
Where can I buy n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide?
You can request a quote for n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.