Streptonigrin carboxamidoacetic acid
TL;DR: Streptonigrin carboxamidoacetic acid (CAS 99533-82-1) is a chemical compound with molecular formula C27H25N5O9 and molecular weight 563.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid
Also Known As: STN-NHCH2COOH, Streptonigrin analog, Streptonigrin carboxamidoacetic acid, Glycine, N-((5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinyl)carbonyl)-, 2-[[(4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carbonyl]amino]acetic acid
| Molecular Formula | C27H25N5O9 |
|---|---|
| Molecular Weight | 563.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 563.1652 |
| Heavy Atoms | 41 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 99533-82-1 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C(=O)NCC(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O |
| InChIKey | PRAPDJNJJHWWGV-UHFFFAOYSA-N |
Product Overview
Streptonigrin carboxamidoacetic acid (CAS 99533-82-1), with molecular formula C27H25N5O9 and molecular weight 563.17 g/mol. IUPAC: 2-[[5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid.
Chemical Property Profile of Streptonigrin carboxamidoacetic acid
Property Insights of Streptonigrin carboxamidoacetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Streptonigrin carboxamidoacetic acid. The TPSA of 226.0 Ų indicates high polarity, suggesting Streptonigrin carboxamidoacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Streptonigrin carboxamidoacetic acid has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Streptonigrin carboxamidoacetic acid?
The CAS number of Streptonigrin carboxamidoacetic acid is 99533-82-1.
What is the molecular formula of Streptonigrin carboxamidoacetic acid?
The molecular formula of Streptonigrin carboxamidoacetic acid is C27H25N5O9.
What is the molecular weight of Streptonigrin carboxamidoacetic acid?
The molecular weight of Streptonigrin carboxamidoacetic acid is 563.17 g/mol.
Where can I buy Streptonigrin carboxamidoacetic acid?
You can request a quote for Streptonigrin carboxamidoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Streptonigrin carboxamidoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Streptonigrin carboxamidoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.