N,N-双(2-氯乙基)-3-硝基苯胺
TL;DR: N,N-双(2-氯乙基)-3-硝基苯胺 (CAS 24813-13-6) is a chemical compound with molecular formula C10H12Cl2N2O2 and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-双(2-氯乙基)-3-硝基苯胺
N,N-bis(2-chloroethyl)-3-nitroaniline
Also Known As: N,N-Bis(2-chloroethyl)-m-nitroaniline, N,N-Bis(2-chloroethyl)-3-nitroaniline, ANILINE, N,N-BIS(2-CHLOROETHYL)-m-NITRO-, 3-Nitro-N,N-bis[chloroethyl]aniline, 3-Nitro-N,N-bis[2-chloroethyl]aniline
| Molecular Formula | C10H12Cl2N2O2 |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.0276 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 24813-13-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N(CCCl)CCCl |
| InChIKey | YGMKECHJXDTTCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-双(2-氯乙基)-3-硝基苯胺 (CAS 24813-13-6), with molecular formula C10H12Cl2N2O2 and molecular weight 262.03 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-nitroaniline.
Chemical Property Profile of N,N-双(2-氯乙基)-3-硝基苯胺
Property Insights of N,N-双(2-氯乙基)-3-硝基苯胺
The XLogP value of 3.3 indicates that N,N-双(2-氯乙基)-3-硝基苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, N,N-双(2-氯乙基)-3-硝基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-双(2-氯乙基)-3-硝基苯胺 has 0 hydrogen bond donor(s) and 3 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-双(2-氯乙基)-3-硝基苯胺?
The CAS number of N,N-双(2-氯乙基)-3-硝基苯胺 is 24813-13-6.
What is the molecular formula of N,N-双(2-氯乙基)-3-硝基苯胺?
The molecular formula of N,N-双(2-氯乙基)-3-硝基苯胺 is C10H12Cl2N2O2.
What is the molecular weight of N,N-双(2-氯乙基)-3-硝基苯胺?
The molecular weight of N,N-双(2-氯乙基)-3-硝基苯胺 is 262.03 g/mol.
Where can I buy N,N-双(2-氯乙基)-3-硝基苯胺?
You can request a quote for N,N-双(2-氯乙基)-3-硝基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-双(2-氯乙基)-3-硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for N,N-双(2-氯乙基)-3-硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.