1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-
TL;DR: 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl- (CAS 128365-96-8) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(carbamoylamino)-2-(3-methylindol-1-yl)acetic acid
Also Known As: alpha-((Aminocarbonyl)amino)-3-methyl-1H-indole-1-acetic acid, 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-, 2-(carbamoylamino)-2-(3-methylindol-1-yl)acetic acid, {[Hydroxy(imino)methyl]amino}(3-methyl-1H-indol-1-yl)acetic acid, BRN 4322298
Technical Specifications
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.09569 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 97.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.09569 Da |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
| SMILES | CC1=CN(C2=CC=CC=C12)C(C(=O)O)NC(=O)N |
| InChIKey | ZEHVMDMXAUGMJK-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-
Property Insights of 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-. Following Lipinski's Rule of Five, 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl- 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
What is the CAS number of 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-?
The CAS number of 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl- is 128365-96-8.
What is the molecular formula of 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-?
The molecular formula of 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl- is C12H13N3O3.
What is the molecular weight of 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-?
The molecular weight of 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl- is 247.09569 g/mol.
Where can I buy 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-?
You can request a quote for 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Indole-1-acetic acid, alpha-((aminocarbonyl)amino)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.