乙酸3-(2-羟苯基)丙酸酐
TL;DR: 乙酸3-(2-羟苯基)丙酸酐 (CAS 17123-74-9) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸3-(2-羟苯基)丙酸酐
acetyl 3-(2-hydroxyphenyl)propanoate
Also Known As: Acetylmelilotic acid, Acide acetyl-melilotique, o-Hydroxyhydrocinnamic acid acetate, Acide acetyl-melilotique [French], 2-(Acetyloxy)benzenepropanoic acid
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 17123-74-9 |
|---|---|
| SMILES | CC(=O)OC(=O)CCC1=CC=CC=C1O |
| InChIKey | HWHJTMNRGPJBSF-UHFFFAOYSA-N |
Product Overview
乙酸3-(2-羟苯基)丙酸酐 (CAS 17123-74-9), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: acetyl 3-(2-hydroxyphenyl)propanoate.
Chemical Property Profile of 乙酸3-(2-羟苯基)丙酸酐
Property Insights of 乙酸3-(2-羟苯基)丙酸酐
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸3-(2-羟苯基)丙酸酐. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酸3-(2-羟苯基)丙酸酐. Following Lipinski's Rule of Five, 乙酸3-(2-羟苯基)丙酸酐 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 乙酸3-(2-羟苯基)丙酸酐?
The CAS number of 乙酸3-(2-羟苯基)丙酸酐 is 17123-74-9.
What is the molecular formula of 乙酸3-(2-羟苯基)丙酸酐?
The molecular formula of 乙酸3-(2-羟苯基)丙酸酐 is C11H12O4.
What is the molecular weight of 乙酸3-(2-羟苯基)丙酸酐?
The molecular weight of 乙酸3-(2-羟苯基)丙酸酐 is 208.07 g/mol.
Where can I buy 乙酸3-(2-羟苯基)丙酸酐?
You can request a quote for 乙酸3-(2-羟苯基)丙酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸3-(2-羟苯基)丙酸酐?
Yes, KEHONG BIO provides custom synthesis services for 乙酸3-(2-羟苯基)丙酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.