2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid
TL;DR: 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid (CAS 1009727-38-1) is a chemical compound with molecular formula C17H23N3O3 and molecular weight 317.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(adamantane-1-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: (Adamantane-1-carbonyl)histidine, 2-[(1-adamantylcarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid, 2-(ADAMANTAN-1-YLFORMAMIDO)-3-(1H-IMIDAZOL-4-YL)PROPANOIC ACID, 2-[(adamantan-1-yl)formamido]-3-(1H-imidazol-4-yl)propanoic acid, Histidine, N-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-
| Molecular Formula | C17H23N3O3 |
|---|---|
| Molecular Weight | 317.17 g/mol |
| LogP | 1.738 |
| Topological Polar Surface Area | 95.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.17395 |
| Heavy Atoms | 23 |
| Complexity | 575.3254 |
Chemical Identifiers
| CAS Number | 1009727-38-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC4=CN=CN4)C(=O)O |
Product Overview
2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid (CAS 1009727-38-1), with molecular formula C17H23N3O3 and molecular weight 317.17 g/mol. IUPAC: 2-(adamantane-1-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid
Property Insights of 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid
The XLogP value of 1.738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid. The TPSA of 95.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid. Following Lipinski's Rule of Five, 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid has 3 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 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid?
The CAS number of 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid is 1009727-38-1.
What is the molecular formula of 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid?
The molecular formula of 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid is C17H23N3O3.
What is the molecular weight of 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid?
The molecular weight of 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid is 317.17 g/mol.
Where can I buy 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid?
You can request a quote for 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic 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-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Adamantan-1-ylformamido)-3-(1H-imidazol-4-YL)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.