N-苄基去甲氮芥
TL;DR: N-苄基去甲氮芥 (CAS 55-51-6) is a chemical compound with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基去甲氮芥
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
Also Known As: N,N-Bis(2-chloroethyl)benzenemethanamine, N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine, N-Benzylnormechlorethamine, Bis(2-chloroethyl)benzylamine, Benzyl nor-mechlorethamine
| Molecular Formula | C11H15Cl2N |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.05815 |
| Heavy Atoms | 14 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 55-51-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCCl)CCCl |
| InChIKey | VLWJKVNMRMHPCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苄基去甲氮芥 (CAS 55-51-6), with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol. IUPAC: N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of N-苄基去甲氮芥
Property Insights of N-苄基去甲氮芥
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苄基去甲氮芥. With a topological polar surface area (TPSA) of 3.2 Ų, N-苄基去甲氮芥 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苄基去甲氮芥 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 N-苄基去甲氮芥?
The CAS number of N-苄基去甲氮芥 is 55-51-6.
What is the molecular formula of N-苄基去甲氮芥?
The molecular formula of N-苄基去甲氮芥 is C11H15Cl2N.
What is the molecular weight of N-苄基去甲氮芥?
The molecular weight of N-苄基去甲氮芥 is 231.06 g/mol.
Where can I buy N-苄基去甲氮芥?
You can request a quote for N-苄基去甲氮芥 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苄基去甲氮芥?
Yes, KEHONG BIO provides custom synthesis services for N-苄基去甲氮芥 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.