(3-Nitroxyadamantan-1-yl)acetic acid
TL;DR: (3-Nitroxyadamantan-1-yl)acetic acid (CAS 144152-49-8) is a chemical compound with molecular formula C12H17NO5 and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrooxy-1-adamantyl)acetic acid
Also Known As: 2-(3-nitrooxy-1-adamantyl)acetic Acid, (3-nitroxyadamantan-1-yl)acetic acid, AB01334123-02, [3-(nitrooxy)tricyclo[3.3.1.1~3,7~]dec-1-yl]acetic acid, 2-((1r,3s,5R,7S)-3-(nitrooxy)adamantan-1-yl)acetic acid
| Molecular Formula | C12H17NO5 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 2.0084 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.11067 |
| Heavy Atoms | 18 |
| Complexity | 359.27194 |
Chemical Identifiers
| CAS Number | 144152-49-8 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)O[N+](=O)[O-])CC(=O)O |
Product Overview
(3-Nitroxyadamantan-1-yl)acetic acid (CAS 144152-49-8), with molecular formula C12H17NO5 and molecular weight 255.11 g/mol. IUPAC: 2-(3-nitrooxy-1-adamantyl)acetic acid.
Chemical Property Profile of (3-Nitroxyadamantan-1-yl)acetic acid
Property Insights of (3-Nitroxyadamantan-1-yl)acetic acid
The XLogP value of 2.0084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitroxyadamantan-1-yl)acetic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitroxyadamantan-1-yl)acetic acid. Following Lipinski's Rule of Five, (3-Nitroxyadamantan-1-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 (3-Nitroxyadamantan-1-yl)acetic acid?
The CAS number of (3-Nitroxyadamantan-1-yl)acetic acid is 144152-49-8.
What is the molecular formula of (3-Nitroxyadamantan-1-yl)acetic acid?
The molecular formula of (3-Nitroxyadamantan-1-yl)acetic acid is C12H17NO5.
What is the molecular weight of (3-Nitroxyadamantan-1-yl)acetic acid?
The molecular weight of (3-Nitroxyadamantan-1-yl)acetic acid is 255.11 g/mol.
Where can I buy (3-Nitroxyadamantan-1-yl)acetic acid?
You can request a quote for (3-Nitroxyadamantan-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-Nitroxyadamantan-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitroxyadamantan-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.