m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid
TL;DR: m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid (CAS 1148-77-2) is a chemical compound with molecular formula C13H17ClFNO2 and molecular weight 273.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
Also Known As: m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid, 3-[3-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid, HYDROCINNAMIC ACID, m-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)-, 3-{3-[(2-chloroethyl)(2-fluoroethyl)amino]phenyl}propanoic acid, 3-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)-, BENZENEPROPANOIC ACID
| Molecular Formula | C13H17ClFNO2 |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 273.09317 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 1148-77-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCF)CCCl)CCC(=O)O |
| InChIKey | RQGPUUZYEPQVLC-UHFFFAOYSA-N |
Product Overview
m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid (CAS 1148-77-2), with molecular formula C13H17ClFNO2 and molecular weight 273.09 g/mol. IUPAC: 3-[3-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid
Property Insights of m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid. With a topological polar surface area (TPSA) of 40.5 Ų, m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid has 1 hydrogen bond donor(s) and 4 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-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid?
The CAS number of m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid is 1148-77-2.
What is the molecular formula of m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid?
The molecular formula of m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid is C13H17ClFNO2.
What is the molecular weight of m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid?
The molecular weight of m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid is 273.09 g/mol.
Where can I buy m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid?
You can request a quote for m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for m-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.