Dibutyl chloromethylphosphonate
TL;DR: Dibutyl chloromethylphosphonate (CAS 3074-81-5) is a chemical compound with molecular formula C9H20ClO3P and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(chloromethyl)phosphoryl]oxybutane
Also Known As: Dibutyl chloromethylphosphonate, dibutyl (chloromethyl)phosphonate, DIBUTYL CHLOROMETHYL PHOSPHONATE, dibutyl(chloromethyl)phosphonate, Dibutylchloromethylphosphonate
| Molecular Formula | C9H20ClO3P |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 242.08386 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 3074-81-5 |
|---|---|
| SMILES | CCCCOP(=O)(CCl)OCCCC |
| InChIKey | LSGPZYLAHPLSBS-UHFFFAOYSA-N |
Product Overview
Dibutyl chloromethylphosphonate (CAS 3074-81-5), with molecular formula C9H20ClO3P and molecular weight 242.08 g/mol. IUPAC: 1-[butoxy(chloromethyl)phosphoryl]oxybutane.
Chemical Property Profile of Dibutyl chloromethylphosphonate
Property Insights of Dibutyl chloromethylphosphonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl chloromethylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dibutyl chloromethylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl chloromethylphosphonate 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 Dibutyl chloromethylphosphonate?
The CAS number of Dibutyl chloromethylphosphonate is 3074-81-5.
What is the molecular formula of Dibutyl chloromethylphosphonate?
The molecular formula of Dibutyl chloromethylphosphonate is C9H20ClO3P.
What is the molecular weight of Dibutyl chloromethylphosphonate?
The molecular weight of Dibutyl chloromethylphosphonate is 242.08 g/mol.
Where can I buy Dibutyl chloromethylphosphonate?
You can request a quote for Dibutyl chloromethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl chloromethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl chloromethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.