RefChem:1100361
TL;DR: RefChem:1100361 (CAS 126164-66-7) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(4-hydroxyphenyl)adamantane-1-carboxylate
Also Known As: Methyl 3-(4-hydroxyphenyl)adamantanecarboxylate, methyl 3-(4-hydroxyphenyl)adamantane-1-carboxylate, Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-(4-hydroxyphenyl)-, methyl ester, Methyl 3-(4-hydroxyphenyl)tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylate, Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-(4-hydroxyphenyl)-, methyl ester
Technical Specifications
| Molecular Formula | C18H22O3 |
| Molecular Weight | 286.1569 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.1569 Da |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
| SMILES | COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)O |
| InChIKey | ACUWZNKUALBCHV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1100361
Property Insights of RefChem:1100361
The XLogP value of 3.8 indicates that RefChem:1100361 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:1100361 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1100361 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1100361?
The CAS number of RefChem:1100361 is 126164-66-7.
What is the molecular formula of RefChem:1100361?
The molecular formula of RefChem:1100361 is C18H22O3.
What is the molecular weight of RefChem:1100361?
The molecular weight of RefChem:1100361 is 286.1569 g/mol.
Where can I buy RefChem:1100361?
You can request a quote for RefChem:1100361 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1100361?
Yes, CoreyChem provides custom synthesis services for RefChem:1100361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.