Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester
TL;DR: Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester (CAS 27174-71-6) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-adamantyl)acetate
Also Known As: methyl 2-(1-adamantyl)acetate, methyl 2-(adamantan-1-yl)acetate, methyl 1-adamantaneacetate, METHYL 1-ADAMANTYLACETATE, methyl 2-adamantanylacetate
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 27174-71-6 |
|---|---|
| SMILES | COC(=O)CC12CC3CC(C1)CC(C3)C2 |
| InChIKey | MZIVXJGBKLZCKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester (CAS 27174-71-6), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: methyl 2-(1-adamantyl)acetate.
Chemical Property Profile of Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester
Property Insights of Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester
The XLogP value of 3.5 indicates that Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl 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, Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl 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 Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester?
The CAS number of Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester is 27174-71-6.
What is the molecular formula of Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester?
The molecular formula of Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester is C13H20O2.
What is the molecular weight of Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester?
The molecular weight of Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester is 208.15 g/mol.
Where can I buy Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester?
You can request a quote for Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Tricyclo(3.3.1.13,7)decane-1-acetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.