![3,4]Octane-5,6-dicarboxylic acid, monomethyl ester structure](/static/products/5218/52183-74-1.webp)
3,4]Octane-5,6-dicarboxylic acid, monomethyl ester
TL;DR: 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester (CAS 52183-74-1) is a chemical compound with molecular formula C9H10O6 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5S,6S,7S)-6-methoxycarbonyl-3,8-dioxatricyclo[5.1.0.02,4]octane-5-carboxylic acid
Also Known As: 3,4]octane-5,6-dicarboxylic acid, monomethyl ester, (1beta,2alpha,4alpha,7beta)-3,8-Dioxatricyclo[5.1.0.02,4]octane-5beta,6alpha-dicarboxylic acid 5-methyl ester, (1S,2S,4S,5S,6S,7S)-6-(Methoxycarbonyl)-3,8-dioxatricyclo[5.1.0.0~2,4~]octane-5-carboxylic acid, (1S,2S,4S,5S,6S,7S)-6-(methoxycarbonyl)-3,8-dioxatricyclo[5.1.0.02,4]octane-5-carboxylic acid, 3,4]octane-5,6-dicarboxylic acid, monomethyl ester, (1.alpha.,2.beta.,4.beta.,5.alpha.,6.beta.,7.alpha.)-
| Molecular Formula | C9H10O6 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.04774 |
| Heavy Atoms | 15 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 52183-74-1 |
|---|---|
| SMILES | COC(=O)[C@H]1[C@@H]([C@H]2[C@H](O2)[C@@H]3[C@H]1O3)C(=O)O |
| InChIKey | QWCALFKCJNILPA-CLYCCYFHSA-N |
Product Overview
3,4]Octane-5,6-dicarboxylic acid, monomethyl ester (CAS 52183-74-1), with molecular formula C9H10O6 and molecular weight 214.05 g/mol. IUPAC: (1S,2S,4S,5S,6S,7S)-6-methoxycarbonyl-3,8-dioxatricyclo[5.1.0.02,4]octane-5-carboxylic acid.
Chemical Property Profile of 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester
Property Insights of 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester
The XLogP value of -1.1 indicates that 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester. Following Lipinski's Rule of Five, 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester has 1 hydrogen bond donor(s) and 6 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 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester?
The CAS number of 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester is 52183-74-1.
What is the molecular formula of 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester?
The molecular formula of 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester is C9H10O6.
What is the molecular weight of 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester?
The molecular weight of 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester is 214.05 g/mol.
Where can I buy 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester?
You can request a quote for 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4]Octane-5,6-dicarboxylic acid, monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.