Adamantane-1-carboxylate
TL;DR: Adamantane-1-carboxylate (CAS 65012-54-6) is a chemical compound with molecular formula C11H15O2- and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
adamantane-1-carboxylate
Also Known As: 1-adamantanecarboxylate, adamantane-1-carboxylate, 1-adamantanecarboxylate anion
| Molecular Formula | C11H15O2- |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 0.9527 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.10721 |
| Heavy Atoms | 13 |
| Complexity | 221.53168 |
Chemical Identifiers
| CAS Number | 65012-54-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)[O-] |
Product Overview
Adamantane-1-carboxylate (CAS 65012-54-6), with molecular formula C11H15O2- and molecular weight 179.11 g/mol. IUPAC: adamantane-1-carboxylate.
Chemical Property Profile of Adamantane-1-carboxylate
Property Insights of Adamantane-1-carboxylate
The XLogP value of 0.9527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adamantane-1-carboxylate. With a topological polar surface area (TPSA) of 40.13 Ų, Adamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantane-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 Adamantane-1-carboxylate?
The CAS number of Adamantane-1-carboxylate is 65012-54-6.
What is the molecular formula of Adamantane-1-carboxylate?
The molecular formula of Adamantane-1-carboxylate is C11H15O2-.
What is the molecular weight of Adamantane-1-carboxylate?
The molecular weight of Adamantane-1-carboxylate is 179.11 g/mol.
Where can I buy Adamantane-1-carboxylate?
You can request a quote for Adamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Adamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.