Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester
TL;DR: Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester (CAS 57981-07-4) is a chemical compound with molecular formula C13H16Cl2N2O4 and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-[3-(2-chloroethoxycarbonylamino)-4-methylphenyl]carbamate
Also Known As: N,N'-(4-METHYL-1,3-PHENYLENE)BIS(2-CHLOROETHYL CARBAMATE), Bis(2-chloroethyl) (4-methyl-1,3-phenylene)biscarbamate, Bis(2-chloroethyl) (4-methyl-1,3-phenylene)dicarbamate, Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester, 2-chloroethyl N-[3-(2-chloroethoxycarbonylamino)-4-methylphenyl]carbamate
| Molecular Formula | C13H16Cl2N2O4 |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 3.56962 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.0487 |
| Heavy Atoms | 21 |
| Complexity | 497.05963 |
Chemical Identifiers
| CAS Number | 57981-07-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OCCCl)NC(=O)OCCCl |
Product Overview
Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester (CAS 57981-07-4), with molecular formula C13H16Cl2N2O4 and molecular weight 334.05 g/mol. IUPAC: 2-chloroethyl N-[3-(2-chloroethoxycarbonylamino)-4-methylphenyl]carbamate.
Chemical Property Profile of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester
Property Insights of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester
The XLogP value of 3.56962 indicates that Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester. Following Lipinski's Rule of Five, Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) 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, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester?
The CAS number of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester is 57981-07-4.
What is the molecular formula of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester?
The molecular formula of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester is C13H16Cl2N2O4.
What is the molecular weight of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester?
The molecular weight of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester is 334.05 g/mol.
Where can I buy Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester?
You can request a quote for Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) 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, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-chloroethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.