(4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate
TL;DR: (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate (CAS 13723-40-5) 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.
(4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate
Also Known As: (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate, 4-Nitrophenyl bis(2-chloropropyl)carbamate, benzyl n-[(benzyloxy)carbonyl]-o-[bis(2-chloropropyl)carbamoyl]serinate
| Molecular Formula | C13H16Cl2N2O4 |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 3.6 |
| 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 | 347.0 |
Chemical Identifiers
| CAS Number | 13723-40-5 |
|---|---|
| SMILES | CC(CN(CC(C)Cl)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | XYXLCCMWUNABBI-UHFFFAOYSA-N |
Product Overview
(4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate (CAS 13723-40-5), with molecular formula C13H16Cl2N2O4 and molecular weight 334.05 g/mol. IUPAC: (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate.
Chemical Property Profile of (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate
Property Insights of (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate
The XLogP value of 3.6 indicates that (4-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 (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate. Following Lipinski's Rule of Five, (4-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 (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
The CAS number of (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate is 13723-40-5.
What is the molecular formula of (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
The molecular formula of (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate is C13H16Cl2N2O4.
What is the molecular weight of (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
The molecular weight of (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate is 334.05 g/mol.
Where can I buy (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
You can request a quote for (4-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 (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl) N,N-bis(2-chloropropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.