Butyl bis(chloromethyl)carbamate
TL;DR: Butyl bis(chloromethyl)carbamate (CAS 29672-00-2) is a chemical compound with molecular formula C7H13Cl2NO2 and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N,N-bis(chloromethyl)carbamate
Also Known As: butylbis carbamate, Butyl bis(chloromethyl)carbamate, butyl N,N-bis(chloromethyl)carbamate, N,N-Di(chloromethyl)carbamic acid butyl ester, Carbamic acid, bis(chloromethyl)-, butyl ester
| Molecular Formula | C7H13Cl2NO2 |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 213.03233 |
| Heavy Atoms | 12 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 29672-00-2 |
|---|---|
| SMILES | CCCCOC(=O)N(CCl)CCl |
| InChIKey | SGGDXVVDVKMMSO-UHFFFAOYSA-N |
Product Overview
Butyl bis(chloromethyl)carbamate (CAS 29672-00-2), with molecular formula C7H13Cl2NO2 and molecular weight 213.03 g/mol. IUPAC: butyl N,N-bis(chloromethyl)carbamate.
Chemical Property Profile of Butyl bis(chloromethyl)carbamate
Property Insights of Butyl bis(chloromethyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl bis(chloromethyl)carbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Butyl bis(chloromethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl bis(chloromethyl)carbamate 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 Butyl bis(chloromethyl)carbamate?
The CAS number of Butyl bis(chloromethyl)carbamate is 29672-00-2.
What is the molecular formula of Butyl bis(chloromethyl)carbamate?
The molecular formula of Butyl bis(chloromethyl)carbamate is C7H13Cl2NO2.
What is the molecular weight of Butyl bis(chloromethyl)carbamate?
The molecular weight of Butyl bis(chloromethyl)carbamate is 213.03 g/mol.
Where can I buy Butyl bis(chloromethyl)carbamate?
You can request a quote for Butyl bis(chloromethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl bis(chloromethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl bis(chloromethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.