m-N,N-Bis(2-chloroethyl)aminocinnamic acid
TL;DR: m-N,N-Bis(2-chloroethyl)aminocinnamic acid (CAS 64976-96-1) 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-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid
Also Known As: m-N,N-Bis(2-chloroethyl)aminocinnamic acid, 3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid, 2-Propenoic acid, 3-[3-[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 | 64976-96-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCCl)CCCl)C=CC(=O)O |
| InChIKey | JSOYXXMBUBXHOG-UHFFFAOYSA-N |
Product Overview
m-N,N-Bis(2-chloroethyl)aminocinnamic acid (CAS 64976-96-1), with molecular formula C13H15Cl2NO2 and molecular weight 287.05 g/mol. IUPAC: 3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoic acid.
Chemical Property Profile of m-N,N-Bis(2-chloroethyl)aminocinnamic acid
Property Insights of m-N,N-Bis(2-chloroethyl)aminocinnamic acid
The XLogP value of 3.2 indicates that m-N,N-Bis(2-chloroethyl)aminocinnamic 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, m-N,N-Bis(2-chloroethyl)aminocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-N,N-Bis(2-chloroethyl)aminocinnamic 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 m-N,N-Bis(2-chloroethyl)aminocinnamic acid?
The CAS number of m-N,N-Bis(2-chloroethyl)aminocinnamic acid is 64976-96-1.
What is the molecular formula of m-N,N-Bis(2-chloroethyl)aminocinnamic acid?
The molecular formula of m-N,N-Bis(2-chloroethyl)aminocinnamic acid is C13H15Cl2NO2.
What is the molecular weight of m-N,N-Bis(2-chloroethyl)aminocinnamic acid?
The molecular weight of m-N,N-Bis(2-chloroethyl)aminocinnamic acid is 287.05 g/mol.
Where can I buy m-N,N-Bis(2-chloroethyl)aminocinnamic acid?
You can request a quote for m-N,N-Bis(2-chloroethyl)aminocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-N,N-Bis(2-chloroethyl)aminocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for m-N,N-Bis(2-chloroethyl)aminocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.