2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester
TL;DR: 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester (CAS 5202-38-0) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,8-dioxoadamantane-2-carboxylate
Also Known As: 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester, 4-Methoxycarbonyladamantan-2,6-dion, methyl 4,8-dioxoadamantane-2-carboxylate, Methyl 4,8-dioxo-2-adamantanecarboxylate #, Tricyclo[3.3.1.13,7]decane-2-carboxylic acid, 4,8-dioxo-, methyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 5202-38-0 |
|---|---|
| SMILES | COC(=O)C1C2CC3CC(C2=O)CC1C3=O |
| InChIKey | PLMQPUSQIPZMCP-UHFFFAOYSA-N |
Product Overview
2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester (CAS 5202-38-0), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: methyl 4,8-dioxoadamantane-2-carboxylate.
Chemical Property Profile of 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester
Property Insights of 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester. Following Lipinski's Rule of Five, 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester has 0 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 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester?
The CAS number of 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester is 5202-38-0.
What is the molecular formula of 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester?
The molecular formula of 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester is C12H14O4.
What is the molecular weight of 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester?
The molecular weight of 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester is 222.09 g/mol.
Where can I buy 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester?
You can request a quote for 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.