4-(1-Adamantylamino)-4-oxobutanoic acid
TL;DR: 4-(1-Adamantylamino)-4-oxobutanoic acid (CAS 52986-22-8) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantylamino)-4-oxobutanoic acid
Also Known As: 4-(1-Adamantylamino)-4-oxobutanoic acid, 3-[(ADAMANTAN-1-YL)CARBAMOYL]PROPANOIC ACID, 4-(adamantan-1-ylamino)-4-oxobutanoic acid, 3-(N-adamantanylcarbamoyl)propanoic acid, 4-Oxo-4-(1-adamantylamino)butyric acid
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 52986-22-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)CCC(=O)O |
| InChIKey | PGAQEOVRNCJNAA-UHFFFAOYSA-N |
Product Overview
4-(1-Adamantylamino)-4-oxobutanoic acid (CAS 52986-22-8), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: 4-(1-adamantylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(1-Adamantylamino)-4-oxobutanoic acid
Property Insights of 4-(1-Adamantylamino)-4-oxobutanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Adamantylamino)-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Adamantylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(1-Adamantylamino)-4-oxobutanoic 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 4-(1-Adamantylamino)-4-oxobutanoic acid?
The CAS number of 4-(1-Adamantylamino)-4-oxobutanoic acid is 52986-22-8.
What is the molecular formula of 4-(1-Adamantylamino)-4-oxobutanoic acid?
The molecular formula of 4-(1-Adamantylamino)-4-oxobutanoic acid is C14H21NO3.
What is the molecular weight of 4-(1-Adamantylamino)-4-oxobutanoic acid?
The molecular weight of 4-(1-Adamantylamino)-4-oxobutanoic acid is 251.15 g/mol.
Where can I buy 4-(1-Adamantylamino)-4-oxobutanoic acid?
You can request a quote for 4-(1-Adamantylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Adamantylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.