![5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid structure](/static/products/2049/204994-33-2.webp)
5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid
TL;DR: 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid (CAS 204994-33-2) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,11S)-11-amino-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxylic acid
Also Known As: Haic, 5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID, (2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid, (3S,6S)-3-AMINO-4-OXO-1,2,3,4,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOLE-6-CARBOXYLIC ACID, HAQ
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 0.3024 |
| Topological Polar Surface Area | 83.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 541.03796 |
Chemical Identifiers
| CAS Number | 204994-33-2 |
|---|---|
| SMILES | C1CC2=C3C(=CC=C2)C[C@H](N3C(=O)[C@H]1N)C(=O)O |
Product Overview
5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid (CAS 204994-33-2), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: (2S,11S)-11-amino-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxylic acid.
Chemical Property Profile of 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid
Property Insights of 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid
The XLogP value of 0.3024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid. The TPSA of 83.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid. Following Lipinski's Rule of Five, 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-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 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid?
The CAS number of 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid is 204994-33-2.
What is the molecular formula of 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid?
The molecular formula of 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid is C13H14N2O3.
What is the molecular weight of 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid?
The molecular weight of 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid is 246.10 g/mol.
Where can I buy 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid?
You can request a quote for 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.