(2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid
TL;DR: (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid (CAS 842977-10-0) is a chemical compound with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantyl)tetrazol-5-yl]acetic acid
Also Known As: (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid, 2-[2-(1-adamantyl)tetrazol-5-yl]acetic acid, BAS 12739483, 2-(1-adamantyl)-5-carboxymethyltetrazole, [2-(adamantan-1-yl)-1,2,3,4-tetrazol-5-yl]acetic acid
| Molecular Formula | C13H18N4O2 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 1.2255 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.14297 |
| Heavy Atoms | 19 |
| Complexity | 489.18362 |
Chemical Identifiers
| CAS Number | 842977-10-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4N=C(N=N4)CC(=O)O |
Product Overview
(2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid (CAS 842977-10-0), with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol. IUPAC: 2-[2-(1-adamantyl)tetrazol-5-yl]acetic acid.
Chemical Property Profile of (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid
Property Insights of (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid
The XLogP value of 1.2255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid. Following Lipinski's Rule of Five, (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid has 1 hydrogen bond donor(s) and 4 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 (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid?
The CAS number of (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid is 842977-10-0.
What is the molecular formula of (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid?
The molecular formula of (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid is C13H18N4O2.
What is the molecular weight of (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid?
The molecular weight of (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid is 262.14 g/mol.
Where can I buy (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid?
You can request a quote for (2-Adamantan-1-yl-2H-tetrazol-5-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 (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Adamantan-1-yl-2H-tetrazol-5-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.