3-(Adamantan-1-YL)prop-2-ynoic acid
TL;DR: 3-(Adamantan-1-YL)prop-2-ynoic acid (CAS 106386-45-2) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyl)prop-2-ynoic acid
Also Known As: 3-(ADAMANTAN-1-YL)PROP-2-YNOIC ACID, 3-(1-adamantyl)-2-propynoic acid, 3-(1-adamantyl)prop-2-ynoic acid, 3-adamantanylprop-2-ynoic acid, 3-(Adamantan-1-yl)propiolic Acid
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 106386-45-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C#CC(=O)O |
| InChIKey | NLHRGHCCCHUIHM-UHFFFAOYSA-N |
Product Overview
3-(Adamantan-1-YL)prop-2-ynoic acid (CAS 106386-45-2), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 3-(1-adamantyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(Adamantan-1-YL)prop-2-ynoic acid
Property Insights of 3-(Adamantan-1-YL)prop-2-ynoic acid
The XLogP value of 3.8 indicates that 3-(Adamantan-1-YL)prop-2-ynoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Adamantan-1-YL)prop-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Adamantan-1-YL)prop-2-ynoic acid has 1 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-(Adamantan-1-YL)prop-2-ynoic acid?
The CAS number of 3-(Adamantan-1-YL)prop-2-ynoic acid is 106386-45-2.
What is the molecular formula of 3-(Adamantan-1-YL)prop-2-ynoic acid?
The molecular formula of 3-(Adamantan-1-YL)prop-2-ynoic acid is C13H16O2.
What is the molecular weight of 3-(Adamantan-1-YL)prop-2-ynoic acid?
The molecular weight of 3-(Adamantan-1-YL)prop-2-ynoic acid is 204.12 g/mol.
Where can I buy 3-(Adamantan-1-YL)prop-2-ynoic acid?
You can request a quote for 3-(Adamantan-1-YL)prop-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Adamantan-1-YL)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Adamantan-1-YL)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.