Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
TL;DR: Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- (CAS 141985-43-5) is a chemical compound with molecular formula C16H13N5O7 and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,3-dimethyl-6-nitro-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-7-yl)amino]benzoic acid
Also Known As: Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-, N-(1,3-Dimethyl-2,4,5-trioxo-6-nitro-1,2,3,4,5,8-hexahydropyrido(2,3-d)pyrimidinyl-7)anthranol, 2-[(1,3-dimethyl-6-nitro-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-7-yl)amino]benzoic acid, 2-({1,3-dimethyl-6-nitro-2,4,5-trioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidin-7-yl}amino)benzoic acid, 2-[(1,3-Dimethyl-6-nitro-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-7-yl)amino]benzoic acid
| Molecular Formula | C16H13N5O7 |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 0.2755 |
| Topological Polar Surface Area | 169.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0815 |
| Heavy Atoms | 28 |
| Complexity | 1332.1783 |
Chemical Identifiers
| CAS Number | 141985-43-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)C(=C(N2)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-])C(=O)N(C1=O)C |
Product Overview
Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- (CAS 141985-43-5), with molecular formula C16H13N5O7 and molecular weight 387.08 g/mol. IUPAC: 2-[(1,3-dimethyl-6-nitro-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-7-yl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
Property Insights of Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
The XLogP value of 0.2755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-. The TPSA of 169.33 Ų indicates high polarity, suggesting Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- has 3 hydrogen bond donor(s) and 7 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 Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
The CAS number of Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- is 141985-43-5.
What is the molecular formula of Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
The molecular formula of Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- is C16H13N5O7.
What is the molecular weight of Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
The molecular weight of Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- is 387.08 g/mol.
Where can I buy Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
You can request a quote for Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.