Propyl phenylphosphonochloridate
TL;DR: Propyl phenylphosphonochloridate (CAS 5454-97-7) is a chemical compound with molecular formula C9H12ClO2P and molecular weight 218.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[chloro(propoxy)phosphoryl]benzene
Also Known As: propyl phenylphosphonochloridate, [chloro(propoxy)phosphoryl]benzene, (chloro-propoxy-phosphoryl)benzene, Phosphonochloridic acid, phenyl-, propyl ester, Phosphonochloridic acid, phenyl-, propylester (9CI)
| Molecular Formula | C9H12ClO2P |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.02635 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 5454-97-7 |
|---|---|
| SMILES | CCCOP(=O)(C1=CC=CC=C1)Cl |
| InChIKey | FJOJOEYGKSAZLT-UHFFFAOYSA-N |
Product Overview
Propyl phenylphosphonochloridate (CAS 5454-97-7), with molecular formula C9H12ClO2P and molecular weight 218.03 g/mol. IUPAC: [chloro(propoxy)phosphoryl]benzene.
Chemical Property Profile of Propyl phenylphosphonochloridate
Property Insights of Propyl phenylphosphonochloridate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl phenylphosphonochloridate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl phenylphosphonochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl phenylphosphonochloridate 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 Propyl phenylphosphonochloridate?
The CAS number of Propyl phenylphosphonochloridate is 5454-97-7.
What is the molecular formula of Propyl phenylphosphonochloridate?
The molecular formula of Propyl phenylphosphonochloridate is C9H12ClO2P.
What is the molecular weight of Propyl phenylphosphonochloridate?
The molecular weight of Propyl phenylphosphonochloridate is 218.03 g/mol.
Where can I buy Propyl phenylphosphonochloridate?
You can request a quote for Propyl phenylphosphonochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl phenylphosphonochloridate?
Yes, KEHONG BIO provides custom synthesis services for Propyl phenylphosphonochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.