n-Butylphosphorodichloridate
TL;DR: n-Butylphosphorodichloridate (CAS 1498-52-8) is a chemical compound with molecular formula CCCCOP(=O)(Cl)Cl and molecular weight 189.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dichlorophosphoryloxybutane
Also Known As: Butyl phosphorodichloridate, 1-dichlorophosphoryloxybutane, n-Butylphosphorodichloridate, Butyldichlorophosphate, butyl dichlorophosphate
| Molecular Formula | CCCCOP(=O)(Cl)Cl |
|---|---|
| Molecular Weight | 189.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.97173 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 1498-52-8 |
|---|---|
| SMILES | CCCCOP(=O)(Cl)Cl |
| InChIKey | RNXHHJQBVBRJMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butylphosphorodichloridate (CAS 1498-52-8), with molecular formula CCCCOP(=O)(Cl)Cl and molecular weight 189.97 g/mol. IUPAC: 1-dichlorophosphoryloxybutane.
Chemical Property Profile of n-Butylphosphorodichloridate
Property Insights of n-Butylphosphorodichloridate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butylphosphorodichloridate. With a topological polar surface area (TPSA) of 26.3 Ų, n-Butylphosphorodichloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butylphosphorodichloridate 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 n-Butylphosphorodichloridate?
The CAS number of n-Butylphosphorodichloridate is 1498-52-8.
What is the molecular formula of n-Butylphosphorodichloridate?
The molecular formula of n-Butylphosphorodichloridate is CCCCOP(=O)(Cl)Cl.
What is the molecular weight of n-Butylphosphorodichloridate?
The molecular weight of n-Butylphosphorodichloridate is 189.97 g/mol.
Where can I buy n-Butylphosphorodichloridate?
You can request a quote for n-Butylphosphorodichloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butylphosphorodichloridate?
Yes, KEHONG BIO provides custom synthesis services for n-Butylphosphorodichloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.