(2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate
TL;DR: (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate (CAS 13723-41-6) 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-nitrophenyl) N,N-bis(2-chloropropyl)carbamate
Also Known As: (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate, 2-Nitrophenyl bis(2-chloropropyl)carbamate
| Molecular Formula | C13H16Cl2N2O4 |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.0487 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 13723-41-6 |
|---|---|
| SMILES | CC(CN(CC(C)Cl)C(=O)OC1=CC=CC=C1[N+](=O)[O-])Cl |
| InChIKey | VKOHLMWYXVHOBR-UHFFFAOYSA-N |
Product Overview
(2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate (CAS 13723-41-6), with molecular formula C13H16Cl2N2O4 and molecular weight 334.05 g/mol. IUPAC: (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate.
Chemical Property Profile of (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate
Property Insights of (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate
The XLogP value of 3.4 indicates that (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate. Following Lipinski's Rule of Five, (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate 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 (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
The CAS number of (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate is 13723-41-6.
What is the molecular formula of (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
The molecular formula of (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate is C13H16Cl2N2O4.
What is the molecular weight of (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
The molecular weight of (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate is 334.05 g/mol.
Where can I buy (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
You can request a quote for (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (2-nitrophenyl) N,N-bis(2-chloropropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.