1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)
TL;DR: 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) (CAS 40915-22-8) is a chemical compound with molecular formula C10H15Cl3N2 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-bis(2-chloroethyl)benzene-1,4-diamine;hydrochloride
Also Known As: thenyl 2-thienyl sulfide, p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride, p-Phenylenediamine, N-bis(2-chloroethyl)-, hydrochloride, 1,4-Benzenediamine, N,N-bis(2-chloroethyl)-, hydrochloride, 3,4-Dihydro-3,4,8-trihydroxy-1(2H)-naphthalenon
| Molecular Formula | C10H15Cl3N2 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 2.9746 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.0301 |
| Heavy Atoms | 15 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 40915-22-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N)N(CCCl)CCCl.Cl |
| InChIKey | SNFZPEZEZZWYMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) (CAS 40915-22-8), with molecular formula C10H15Cl3N2 and molecular weight 268.03 g/mol. IUPAC: 4-N,4-N-bis(2-chloroethyl)benzene-1,4-diamine;hydrochloride.
Chemical Property Profile of 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)
Property Insights of 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)
The XLogP value of 2.9746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?). With a topological polar surface area (TPSA) of 29.3 Ų, 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) has 2 hydrogen bond donor(s) and 2 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 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)?
The CAS number of 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) is 40915-22-8.
What is the molecular formula of 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)?
The molecular formula of 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) is C10H15Cl3N2.
What is the molecular weight of 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)?
The molecular weight of 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) is 268.03 g/mol.
Where can I buy 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)?
You can request a quote for 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.