Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester
TL;DR: Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester (CAS 31060-90-9) is a chemical compound with molecular formula C17H30Cl4N2O4 and molecular weight 466.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[bis(2-chloroethyl)carbamoyloxy]-2,4-dimethylpentyl] N,N-bis(2-chloroethyl)carbamate
Also Known As: Bis(2-chloroethyl)carbamic acid 2-methyl-2-propyltrimethylene ester, 2,4-dimethylpentane-1,3-diyl bis[bis(2-chloroethyl)carbamate], Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester, [3-[bis(2-chloroethyl)carbamoyloxy]-2,4-dimethylpentyl] N,N-bis(2-chloroethyl)carbamate, Carbamic acid,bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester (8CI)
| Molecular Formula | C17H30Cl4N2O4 |
|---|---|
| Molecular Weight | 466.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 466.09598 |
| Heavy Atoms | 27 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 31060-90-9 |
|---|---|
| SMILES | CC(C)C(C(C)COC(=O)N(CCCl)CCCl)OC(=O)N(CCCl)CCCl |
| InChIKey | QPXMYSSLKJTDLW-UHFFFAOYSA-N |
Product Overview
Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester (CAS 31060-90-9), with molecular formula C17H30Cl4N2O4 and molecular weight 466.10 g/mol. IUPAC: [3-[bis(2-chloroethyl)carbamoyloxy]-2,4-dimethylpentyl] N,N-bis(2-chloroethyl)carbamate.
Chemical Property Profile of Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester
Property Insights of Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester
The XLogP value of 4.6 indicates that Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester has 0 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, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
The CAS number of Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester is 31060-90-9.
What is the molecular formula of Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
The molecular formula of Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester is C17H30Cl4N2O4.
What is the molecular weight of Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
The molecular weight of Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester is 466.10 g/mol.
Where can I buy Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
You can request a quote for Carbamic acid, bis(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, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.