3-(1-Adamantyl)propanoic acid
TL;DR: 3-(1-Adamantyl)propanoic acid (CAS 16336-00-8) 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.
3-(1-adamantyl)propanoic acid
Also Known As: 3-(1-adamantyl)propanoic acid, 3-(adamantan-1-yl)propanoic acid, 1-Adamantanepropanoic acid, Maybridge1_002284, 3-(Adamant-1-yl)propanoic acid
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 16336-00-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CCC(=O)O |
| InChIKey | MQLZRIWOJRILDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Adamantyl)propanoic acid (CAS 16336-00-8), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 3-(1-adamantyl)propanoic acid.
Chemical Property Profile of 3-(1-Adamantyl)propanoic acid
Property Insights of 3-(1-Adamantyl)propanoic acid
The XLogP value of 3.5 indicates that 3-(1-Adamantyl)propanoic 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-(1-Adamantyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Adamantyl)propanoic 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-(1-Adamantyl)propanoic acid?
The CAS number of 3-(1-Adamantyl)propanoic acid is 16336-00-8.
What is the molecular formula of 3-(1-Adamantyl)propanoic acid?
The molecular formula of 3-(1-Adamantyl)propanoic acid is C13H20O2.
What is the molecular weight of 3-(1-Adamantyl)propanoic acid?
The molecular weight of 3-(1-Adamantyl)propanoic acid is 208.15 g/mol.
Where can I buy 3-(1-Adamantyl)propanoic acid?
You can request a quote for 3-(1-Adamantyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Adamantyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Adamantyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.