3-Adamantanecarboxylic acid, phenyl ester
TL;DR: 3-Adamantanecarboxylic acid, phenyl ester (CAS 35856-79-2) is a chemical compound with molecular formula C17H20O2 and molecular weight 256.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl adamantane-1-carboxylate
Also Known As: Phenyl 3-adamantanecarboxylate, phenyl adamantane-1-carboxylate, phenyl adamantanecarboxylate, 3-ADAMANTANECARBOXYLIC ACID, PHENYL ESTER, Phenyl 1-adamantanecarboxylate #
| Molecular Formula | C17H20O2 |
|---|---|
| Molecular Weight | 256.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.14633 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 35856-79-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=CC=C4 |
| InChIKey | NYEFYOIDZWYVAM-UHFFFAOYSA-N |
Product Overview
3-Adamantanecarboxylic acid, phenyl ester (CAS 35856-79-2), with molecular formula C17H20O2 and molecular weight 256.15 g/mol. IUPAC: phenyl adamantane-1-carboxylate.
Chemical Property Profile of 3-Adamantanecarboxylic acid, phenyl ester
Property Insights of 3-Adamantanecarboxylic acid, phenyl ester
The XLogP value of 4.3 indicates that 3-Adamantanecarboxylic acid, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Adamantanecarboxylic acid, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Adamantanecarboxylic acid, phenyl ester 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 3-Adamantanecarboxylic acid, phenyl ester?
The CAS number of 3-Adamantanecarboxylic acid, phenyl ester is 35856-79-2.
What is the molecular formula of 3-Adamantanecarboxylic acid, phenyl ester?
The molecular formula of 3-Adamantanecarboxylic acid, phenyl ester is C17H20O2.
What is the molecular weight of 3-Adamantanecarboxylic acid, phenyl ester?
The molecular weight of 3-Adamantanecarboxylic acid, phenyl ester is 256.15 g/mol.
Where can I buy 3-Adamantanecarboxylic acid, phenyl ester?
You can request a quote for 3-Adamantanecarboxylic acid, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Adamantanecarboxylic acid, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Adamantanecarboxylic acid, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.