![3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid structure](/static/products/6497/64976-97-2.webp)
3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid
TL;DR: 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid (CAS 64976-97-2) is a chemical compound with molecular formula C13H15Cl2NO2 and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid
Also Known As: O-N,N-Bis(2-chloroethyl)aminocinnamic acid, ortho-N,N-Bis(2-chloroethyl)aminocinnamic acid, 3-(2-(Bis(2-chloroethyl)amino)phenyl)-2-propenoic acid, 3-[2-[bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid, 2-Propenoic acid, 3-(2-(bis(2-chloroethyl)amino)phenyl)-
| Molecular Formula | C13H15Cl2NO2 |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.04797 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 64976-97-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=CC(=O)O)N(CCCl)CCCl |
| InChIKey | UIDZRHZSGQXZDV-UHFFFAOYSA-N |
Product Overview
3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid (CAS 64976-97-2), with molecular formula C13H15Cl2NO2 and molecular weight 287.05 g/mol. IUPAC: 3-[2-[bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid
Property Insights of 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid
The XLogP value of 3.2 indicates that 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid 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 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid?
The CAS number of 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid is 64976-97-2.
What is the molecular formula of 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid?
The molecular formula of 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid is C13H15Cl2NO2.
What is the molecular weight of 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid?
The molecular weight of 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid is 287.05 g/mol.
Where can I buy 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid?
You can request a quote for 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-[Bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.