Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-
TL;DR: Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- (CAS 64508-90-3) is a chemical compound with molecular formula C15H21Cl2NO2 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoic acid
Also Known As: CB 1356, NCIOpen2_009265, 5-(4-Bis(2-chloroethyl)aminophenyl)pentanoic acid, p-N,N-Di-(2-chloroethyl)aminophenylvaleric acid, 4-(Bis(2-chloroethyl)amino)benzenepentanoic acid
| Molecular Formula | C15H21Cl2NO2 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 317.09494 |
| Heavy Atoms | 20 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 64508-90-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCCC(=O)O)N(CCCl)CCCl |
| InChIKey | YQMOTGVJXOHLKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- (CAS 64508-90-3), with molecular formula C15H21Cl2NO2 and molecular weight 317.09 g/mol. IUPAC: 5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoic acid.
Chemical Property Profile of Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-
Property Insights of Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-. With a topological polar surface area (TPSA) of 40.5 Ų, Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- has 1 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 Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-?
The CAS number of Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- is 64508-90-3.
What is the molecular formula of Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-?
The molecular formula of Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- is C15H21Cl2NO2.
What is the molecular weight of Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-?
The molecular weight of Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- is 317.09 g/mol.
Where can I buy Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-?
You can request a quote for Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepentanoic acid, 4-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.