WB 4291
TL;DR: WB 4291 (CAS 70974-81-1) is a chemical compound with molecular formula C15H17Cl2N and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3-methylnaphthalen-1-amine
Also Known As: 1-Naphthalenamine, N,N-bis(2-chloroethyl)-3-methyl-, N,N-bis(2-chloroethyl)-3-methylnaphthalen-1-amine, 1-Naphthalenamine,N,N-bis(2-chloroethyl)-3-methyl-, 1-Naphthalenamine,N-bis(2-chloroethyl)-3-methyl-, RefChem:194794
| Molecular Formula | C15H17Cl2N |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.0738 |
| Heavy Atoms | 18 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 70974-81-1 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C(=C1)N(CCCl)CCCl |
| InChIKey | XRVKEBMOZFBYHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
WB 4291 (CAS 70974-81-1), with molecular formula C15H17Cl2N and molecular weight 281.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-methylnaphthalen-1-amine.
Chemical Property Profile of WB 4291
Property Insights of WB 4291
The XLogP value of 4.8 indicates that WB 4291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, WB 4291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WB 4291 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 WB 4291?
The CAS number of WB 4291 is 70974-81-1.
What is the molecular formula of WB 4291?
The molecular formula of WB 4291 is C15H17Cl2N.
What is the molecular weight of WB 4291?
The molecular weight of WB 4291 is 281.07 g/mol.
Where can I buy WB 4291?
You can request a quote for WB 4291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WB 4291?
Yes, KEHONG BIO provides custom synthesis services for WB 4291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.