4-Chlorobutyl carbonochloridate
TL;DR: 4-Chlorobutyl carbonochloridate (CAS 37693-18-8) is a chemical compound with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobutyl carbonochloridate
Also Known As: 4-Chlorobutyl chloroformate, 4-chlorobutyl carbonochloridate, Ethoxycarbonyl isocyanate, 4-Chlorobutylchloroformate, 4-chlorobutylcarbonochloridate
| Molecular Formula | C5H8Cl2O2 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | 2.3808 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.99013 |
| Heavy Atoms | 9 |
| Complexity | 85.02718 |
Chemical Identifiers
| CAS Number | 37693-18-8 |
|---|---|
| SMILES | C(CCCl)COC(=O)Cl |
Product Overview
4-Chlorobutyl carbonochloridate (CAS 37693-18-8), with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol. IUPAC: 4-chlorobutyl carbonochloridate.
Chemical Property Profile of 4-Chlorobutyl carbonochloridate
Property Insights of 4-Chlorobutyl carbonochloridate
The XLogP value of 2.3808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobutyl carbonochloridate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlorobutyl carbonochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobutyl carbonochloridate 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 4-Chlorobutyl carbonochloridate?
The CAS number of 4-Chlorobutyl carbonochloridate is 37693-18-8.
What is the molecular formula of 4-Chlorobutyl carbonochloridate?
The molecular formula of 4-Chlorobutyl carbonochloridate is C5H8Cl2O2.
What is the molecular weight of 4-Chlorobutyl carbonochloridate?
The molecular weight of 4-Chlorobutyl carbonochloridate is 169.99 g/mol.
Where can I buy 4-Chlorobutyl carbonochloridate?
You can request a quote for 4-Chlorobutyl carbonochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobutyl carbonochloridate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobutyl carbonochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.