5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
TL;DR: 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid (CAS 55712-79-3) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
Also Known As: 1, 5-(acetyloxy)-6-methoxy-, trans-, 5-acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid, 1,3-Cyclohexadiene-1-carboxylic acid, 5-(acetyloxy)-6-methoxy-, trans-, 5-(Acetyloxy)-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 55712-79-3 |
|---|---|
| SMILES | CC(=O)OC1C=CC=C(C1OC)C(=O)O |
| InChIKey | IDJYGRCSOPVEPD-UHFFFAOYSA-N |
Product Overview
5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid (CAS 55712-79-3), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: 5-acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid.
Chemical Property Profile of 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
Property Insights of 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid. Following Lipinski's Rule of Five, 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid?
The CAS number of 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid is 55712-79-3.
What is the molecular formula of 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid?
The molecular formula of 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid is C10H12O5.
What is the molecular weight of 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid?
The molecular weight of 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid is 212.07 g/mol.
Where can I buy 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid?
You can request a quote for 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.