(5S,7R)-3-acetamidoadamantane-1-carboxylic acid
TL;DR: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (CAS 6240-00-2) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,7R)-3-acetamidoadamantane-1-carboxylic acid
Also Known As: 3-Acetylamino-adamantane-1-carboxylic acid, ZERO/006077, 3-(acetylamino)adamantane-1-carboxylic acid, (5S,7R)-3-acetamidoadamantane-1-carboxylic acid, (5R,7S)-3-ACETAMIDOADAMANTANE-1-CARBOXYLIC ACID
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 6240-00-2 |
|---|---|
| SMILES | CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)O |
| InChIKey | XBMPXAYRLNNWET-ASZHBFLOSA-N |
Product Overview
(5S,7R)-3-acetamidoadamantane-1-carboxylic acid (CAS 6240-00-2), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid.
Chemical Property Profile of (5S,7R)-3-acetamidoadamantane-1-carboxylic acid
Property Insights of (5S,7R)-3-acetamidoadamantane-1-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5S,7R)-3-acetamidoadamantane-1-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5S,7R)-3-acetamidoadamantane-1-carboxylic acid. Following Lipinski's Rule of Five, (5S,7R)-3-acetamidoadamantane-1-carboxylic acid has 2 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 (5S,7R)-3-acetamidoadamantane-1-carboxylic acid?
The CAS number of (5S,7R)-3-acetamidoadamantane-1-carboxylic acid is 6240-00-2.
What is the molecular formula of (5S,7R)-3-acetamidoadamantane-1-carboxylic acid?
The molecular formula of (5S,7R)-3-acetamidoadamantane-1-carboxylic acid is C13H19NO3.
What is the molecular weight of (5S,7R)-3-acetamidoadamantane-1-carboxylic acid?
The molecular weight of (5S,7R)-3-acetamidoadamantane-1-carboxylic acid is 237.14 g/mol.
Where can I buy (5S,7R)-3-acetamidoadamantane-1-carboxylic acid?
You can request a quote for (5S,7R)-3-acetamidoadamantane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5S,7R)-3-acetamidoadamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (5S,7R)-3-acetamidoadamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.