Aniline Mustard
TL;DR: Aniline Mustard (CAS 553-27-5) is a chemical compound with molecular formula C10H13Cl2N and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)aniline
Also Known As: N,N-Bis(2-chloroethyl)aniline, Aniline mustard, Lymphochin, Lymphoquin, Lymphocin
| Molecular Formula | C10H13Cl2N |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.04251 |
| Heavy Atoms | 13 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 553-27-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | ROSJKFFLIXTTAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline Mustard (CAS 553-27-5), with molecular formula C10H13Cl2N and molecular weight 217.04 g/mol. IUPAC: N,N-bis(2-chloroethyl)aniline.
Chemical Property Profile of Aniline Mustard
Property Insights of Aniline Mustard
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline Mustard. With a topological polar surface area (TPSA) of 3.2 Ų, Aniline Mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline Mustard has 0 hydrogen bond donor(s) and 1 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 Aniline Mustard?
The CAS number of Aniline Mustard is 553-27-5.
What is the molecular formula of Aniline Mustard?
The molecular formula of Aniline Mustard is C10H13Cl2N.
What is the molecular weight of Aniline Mustard?
The molecular weight of Aniline Mustard is 217.04 g/mol.
Where can I buy Aniline Mustard?
You can request a quote for Aniline Mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline Mustard?
Yes, KEHONG BIO provides custom synthesis services for Aniline Mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.