![(3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid structure](/static/products/4382/438229-01-7.webp)
(3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid
TL;DR: (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid (CAS 438229-01-7) is a chemical compound with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,2,4-triazol-1-yl)-1-adamantyl]acetic acid
Also Known As: (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid, BAS 12739502, 2-[3-(1,2,4-triazol-1-yl)-1-adamantyl]acetic acid, [3-(1,2,4-triazol-1-yl)adamantan-1-yl]acetic acid, 2-(3-(1,2,4-triazolyl)adamantanyl)acetic acid
| Molecular Formula | C14H19N3O2 |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 2.0483 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.14774 |
| Heavy Atoms | 19 |
| Complexity | 496.77057 |
Chemical Identifiers
| CAS Number | 438229-01-7 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)CC(=O)O |
Product Overview
(3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid (CAS 438229-01-7), with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol. IUPAC: 2-[3-(1,2,4-triazol-1-yl)-1-adamantyl]acetic acid.
Chemical Property Profile of (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid
Property Insights of (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid
The XLogP value of 2.0483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid. Following Lipinski's Rule of Five, (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid 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
Frequently Asked Questions
What is the CAS number of (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid?
The CAS number of (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid is 438229-01-7.
What is the molecular formula of (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid?
The molecular formula of (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid is C14H19N3O2.
What is the molecular weight of (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid?
The molecular weight of (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid is 261.15 g/mol.
Where can I buy (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid?
You can request a quote for (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-[1,2,4]Triazol-1-yl-adamantan-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.