Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate
TL;DR: Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate (CAS 25464-85-1) is a chemical compound with molecular formula C19H20Cl2N2O4 and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-[4-[[4-(2-chloroethoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Also Known As: BIS(2-CHLOROETHYL) N,N'-(METHYLENEDI-4,1-PHENYLENE)BISCARBAMATE, 2-chloroethyl N-[4-[[4-(2-chloroethoxycarbonylamino)phenyl]methyl]phenyl]carbamate, 667-347-3, RefChem:568705
| Molecular Formula | C19H20Cl2N2O4 |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 4.852 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.08002 |
| Heavy Atoms | 27 |
| Complexity | 672.8798 |
Chemical Identifiers
| CAS Number | 25464-85-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)OCCCl)NC(=O)OCCCl |
Product Overview
Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate (CAS 25464-85-1), with molecular formula C19H20Cl2N2O4 and molecular weight 410.08 g/mol. IUPAC: 2-chloroethyl N-[4-[[4-(2-chloroethoxycarbonylamino)phenyl]methyl]phenyl]carbamate.
Chemical Property Profile of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate
Property Insights of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate
The XLogP value of 4.852 indicates that Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate 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 Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate. Following Lipinski's Rule of Five, Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate 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 Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate?
The CAS number of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate is 25464-85-1.
What is the molecular formula of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate?
The molecular formula of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate is C19H20Cl2N2O4.
What is the molecular weight of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate?
The molecular weight of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate is 410.08 g/mol.
Where can I buy Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate?
You can request a quote for Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.