N,N'-Hexamethylenebis(2-chloroethyl carbamate)
TL;DR: N,N'-Hexamethylenebis(2-chloroethyl carbamate) (CAS 3142-96-9) is a chemical compound with molecular formula C12H22Cl2N2O4 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-[6-(2-chloroethoxycarbonylamino)hexyl]carbamate
Also Known As: N,N'-HEXAMETHYLENEBIS(2-CHLOROETHYL CARBAMATE), J1.407.549F, bis(2-chloroethyl) hexane-1,6-diylbiscarbamate, 2-chloroethyl N-[6-(2-chloroethoxycarbonylamino)hexyl]carbamate, N,N -(Hexamethylene)bis(carbamic acid 2-chloroethyl) ester
| Molecular Formula | C12H22Cl2N2O4 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.4768 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 328.09567 |
| Heavy Atoms | 20 |
| Complexity | 241.84187 |
Chemical Identifiers
| CAS Number | 3142-96-9 |
|---|---|
| SMILES | C(CCCNC(=O)OCCCl)CCNC(=O)OCCCl |
Product Overview
N,N'-Hexamethylenebis(2-chloroethyl carbamate) (CAS 3142-96-9), with molecular formula C12H22Cl2N2O4 and molecular weight 328.10 g/mol. IUPAC: 2-chloroethyl N-[6-(2-chloroethoxycarbonylamino)hexyl]carbamate.
Chemical Property Profile of N,N'-Hexamethylenebis(2-chloroethyl carbamate)
Property Insights of N,N'-Hexamethylenebis(2-chloroethyl carbamate)
The XLogP value of 2.4768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Hexamethylenebis(2-chloroethyl carbamate). The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Hexamethylenebis(2-chloroethyl carbamate). Following Lipinski's Rule of Five, N,N'-Hexamethylenebis(2-chloroethyl carbamate) 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 N,N'-Hexamethylenebis(2-chloroethyl carbamate)?
The CAS number of N,N'-Hexamethylenebis(2-chloroethyl carbamate) is 3142-96-9.
What is the molecular formula of N,N'-Hexamethylenebis(2-chloroethyl carbamate)?
The molecular formula of N,N'-Hexamethylenebis(2-chloroethyl carbamate) is C12H22Cl2N2O4.
What is the molecular weight of N,N'-Hexamethylenebis(2-chloroethyl carbamate)?
The molecular weight of N,N'-Hexamethylenebis(2-chloroethyl carbamate) is 328.10 g/mol.
Where can I buy N,N'-Hexamethylenebis(2-chloroethyl carbamate)?
You can request a quote for N,N'-Hexamethylenebis(2-chloroethyl carbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Hexamethylenebis(2-chloroethyl carbamate)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Hexamethylenebis(2-chloroethyl carbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.