o-Butyl isopropylphosphonochloridate
TL;DR: o-Butyl isopropylphosphonochloridate (CAS 87329-07-5) is a chemical compound with molecular formula C7H16ClO2P and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[chloro(propan-2-yl)phosphoryl]oxybutane
Also Known As: butyl isopropylphosphonochloridate, Butyl isopropylphosphonochloridoate, o-Butyl isopropylphosphonochloridate, Butyl isopropylphosphonochloridoate #, 1-[chloro(propan-2-yl)phosphoryl]oxybutane
| Molecular Formula | C7H16ClO2P |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.05765 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 87329-07-5 |
|---|---|
| SMILES | CCCCOP(=O)(C(C)C)Cl |
| InChIKey | LCJVJUSIJVPOAW-UHFFFAOYSA-N |
Product Overview
o-Butyl isopropylphosphonochloridate (CAS 87329-07-5), with molecular formula C7H16ClO2P and molecular weight 198.06 g/mol. IUPAC: 1-[chloro(propan-2-yl)phosphoryl]oxybutane.
Chemical Property Profile of o-Butyl isopropylphosphonochloridate
Property Insights of o-Butyl isopropylphosphonochloridate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Butyl isopropylphosphonochloridate. With a topological polar surface area (TPSA) of 26.3 Ų, o-Butyl isopropylphosphonochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Butyl isopropylphosphonochloridate 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 o-Butyl isopropylphosphonochloridate?
The CAS number of o-Butyl isopropylphosphonochloridate is 87329-07-5.
What is the molecular formula of o-Butyl isopropylphosphonochloridate?
The molecular formula of o-Butyl isopropylphosphonochloridate is C7H16ClO2P.
What is the molecular weight of o-Butyl isopropylphosphonochloridate?
The molecular weight of o-Butyl isopropylphosphonochloridate is 198.06 g/mol.
Where can I buy o-Butyl isopropylphosphonochloridate?
You can request a quote for o-Butyl isopropylphosphonochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Butyl isopropylphosphonochloridate?
Yes, KEHONG BIO provides custom synthesis services for o-Butyl isopropylphosphonochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.