Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride
TL;DR: Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride (CAS 1212-39-1) is a chemical compound with molecular formula C12H17ClFNO2 and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-(2-fluoroethylamino)phenyl]propanoate;hydrochloride
Also Known As: starbld0044593, HYDROCINNAMIC ACID, 3-(2-FLUOROETHYLAMINO)-, METHYL ESTER, HYDROCHLORIDE, Methyl 3-(2-fluoroethylamino)hydrocinnamate hydrochloride, Methyl N-2-fluoroethyl-3-(m-aminophenyl)propionate hydrochloride, m-((2-Fluoroethyl)amino)hydrocinnamic acid methyl ester hydrochloride
| Molecular Formula | C12H17ClFNO2 |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.09317 |
| Heavy Atoms | 17 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 1212-39-1 |
|---|---|
| SMILES | COC(=O)CCC1=CC(=CC=C1)NCCF.Cl |
| InChIKey | JTHXMWBSOFAULB-UHFFFAOYSA-N |
Product Overview
Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride (CAS 1212-39-1), with molecular formula C12H17ClFNO2 and molecular weight 261.09 g/mol. IUPAC: methyl 3-[3-(2-fluoroethylamino)phenyl]propanoate;hydrochloride.
Chemical Property Profile of Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride
Property Insights of Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride. With a topological polar surface area (TPSA) of 38.3 Ų, Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride has 2 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 Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride?
The CAS number of Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride is 1212-39-1.
What is the molecular formula of Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride?
The molecular formula of Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride is C12H17ClFNO2.
What is the molecular weight of Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride?
The molecular weight of Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride is 261.09 g/mol.
Where can I buy Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride?
You can request a quote for Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.