6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester
TL;DR: 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester (CAS 81677-51-2) is a chemical compound with molecular formula C19H13N3O4 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-nitro-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester, methyl 6-nitro-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate, Methyl 6-nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylate, 6-NITRO-1-PHENYL-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, METHYL ESTER, 9H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, 6-NITRO-1-PHENYL-, METHYL ESTER
| Molecular Formula | C19H13N3O4 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 4.0779 |
| Topological Polar Surface Area | 98.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0906 |
| Heavy Atoms | 26 |
| Complexity | 1165.8137 |
Chemical Identifiers
| CAS Number | 81677-51-2 |
|---|---|
| SMILES | COC(=O)C1=NC(=C2C(=C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester (CAS 81677-51-2), with molecular formula C19H13N3O4 and molecular weight 347.09 g/mol. IUPAC: methyl 6-nitro-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester
Property Insights of 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester
The XLogP value of 4.0779 indicates that 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester. Following Lipinski's Rule of Five, 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester has 1 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 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester?
The CAS number of 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester is 81677-51-2.
What is the molecular formula of 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester?
The molecular formula of 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester is C19H13N3O4.
What is the molecular weight of 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester?
The molecular weight of 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester is 347.09 g/mol.
Where can I buy 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester?
You can request a quote for 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1-phenyl-9H-pyrido(3,4-b)indole-3-carboxylic acid, Methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.