Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester
TL;DR: Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester (CAS 31030-27-0) is a chemical compound with molecular formula C13H24Cl2N2O4 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chloroethylcarbamoyloxy)-2,4-dimethylpentyl] N-(2-chloroethyl)carbamate
Also Known As: (2-Chloroethyl)carbamic acid 2-methyl-2-propyltrimethylene ester, Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester, 2,4-dimethylpentane-1,3-diyl bis[(2-chloroethyl)carbamate], [3-(2-chloroethylcarbamoyloxy)-2,4-dimethylpentyl] N-(2-chloroethyl)carbamate, Carbamic acid,(2-chloroethyl)-,2-methyl-2-propyltrimethylene ester
| Molecular Formula | C13H24Cl2N2O4 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 342.1113 |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 31030-27-0 |
|---|---|
| SMILES | CC(C)C(C(C)COC(=O)NCCCl)OC(=O)NCCCl |
| InChIKey | VQPXUQSWNNJBIB-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester (CAS 31030-27-0), with molecular formula C13H24Cl2N2O4 and molecular weight 342.11 g/mol. IUPAC: [3-(2-chloroethylcarbamoyloxy)-2,4-dimethylpentyl] N-(2-chloroethyl)carbamate.
Chemical Property Profile of Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester
Property Insights of Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester
The XLogP value of 3.0 indicates that Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester. Following Lipinski's Rule of Five, Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester has 2 hydrogen bond donor(s) and 4 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 Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
The CAS number of Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester is 31030-27-0.
What is the molecular formula of Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
The molecular formula of Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester is C13H24Cl2N2O4.
What is the molecular weight of Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
The molecular weight of Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester is 342.11 g/mol.
Where can I buy Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
You can request a quote for Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.