Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-
TL;DR: Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)- (CAS 4252-25-9) is a chemical compound with molecular formula C13H17Cl2NO2 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Also Known As: m-Nor-chlorambucil, m-(Bis(2-chloroethyl)amino)hydrocinnamic acid, HYDROCINNAMIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-, 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid, Benzenepropanoic acid, 3-(bis(2-chloroethyl)amino)-
| Molecular Formula | C13H17Cl2NO2 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.06363 |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 4252-25-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCCl)CCCl)CCC(=O)O |
| InChIKey | DZZLSUVOCHEQJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)- (CAS 4252-25-9), with molecular formula C13H17Cl2NO2 and molecular weight 289.06 g/mol. IUPAC: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-
Property Insights of Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-
The XLogP value of 3.0 indicates that Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocinnamic acid, m-(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 Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-?
The CAS number of Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)- is 4252-25-9.
What is the molecular formula of Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-?
The molecular formula of Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)- is C13H17Cl2NO2.
What is the molecular weight of Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-?
The molecular weight of Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)- is 289.06 g/mol.
Where can I buy Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-?
You can request a quote for Hydrocinnamic acid, m-(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 Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.