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[4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride
TL;DR: [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride (CAS 3308-26-7) is a chemical compound with molecular formula C14H20Cl3NO2 and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-carboxypropyl)phenyl]-bis(2-chloroethyl)azanium chloride
Also Known As: gamma-p-N-Di(beta-chloroethyl)aminophenylbutyric acid hydrochloride, [4-(3-carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride, 4-(p-(Bis(2-chloroethyl)amino)phenyl)butyric acid hydrochloride, Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride, bis(2-chloroethyl)-[4-(4-hydroxy-4-oxobutyl)phenyl]azanium chloride
| Molecular Formula | C14H20Cl3NO2 |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | -0.91 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.05597 |
| Heavy Atoms | 20 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 3308-26-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)O)[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | NAQNVOSSGCIIDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride (CAS 3308-26-7), with molecular formula C14H20Cl3NO2 and molecular weight 339.06 g/mol. IUPAC: [4-(3-carboxypropyl)phenyl]-bis(2-chloroethyl)azanium chloride.
Chemical Property Profile of [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride
Property Insights of [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride
The XLogP value of -0.91 indicates that [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.7 Ų, [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride has 2 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 [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride?
The CAS number of [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride is 3308-26-7.
What is the molecular formula of [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride?
The molecular formula of [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride is C14H20Cl3NO2.
What is the molecular weight of [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride?
The molecular weight of [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride is 339.06 g/mol.
Where can I buy [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride?
You can request a quote for [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride?
Yes, KEHONG BIO provides custom synthesis services for [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.