(7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
TL;DR: (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid (CAS 89489-05-4) is a chemical compound with molecular formula C6H10N4O4 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
Also Known As: (+)-Hexahydro-2-(nitroimino)-1H-1,3-diazepine-4-carboxylic acid, (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid, 1H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-(nitroimino)- (7CI)
| Molecular Formula | C6H10N4O4 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | -1.0397 |
| Topological Polar Surface Area | 116.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.0702 |
| Heavy Atoms | 14 |
| Complexity | 277.00507 |
Chemical Identifiers
| CAS Number | 89489-05-4 |
|---|---|
| SMILES | C1C[C@H](NC(=NC1)N[N+](=O)[O-])C(=O)O |
Product Overview
(7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid (CAS 89489-05-4), with molecular formula C6H10N4O4 and molecular weight 202.07 g/mol. IUPAC: (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid.
Chemical Property Profile of (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
Property Insights of (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
The XLogP value of -1.0397 indicates that (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid. Following Lipinski's Rule of Five, (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid has 3 hydrogen bond donor(s) and 5 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 (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid?
The CAS number of (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid is 89489-05-4.
What is the molecular formula of (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid?
The molecular formula of (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid is C6H10N4O4.
What is the molecular weight of (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid?
The molecular weight of (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid is 202.07 g/mol.
Where can I buy (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid?
You can request a quote for (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (7S)-2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.