![1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid structure](/static/products/102/1023970-37-7.png)
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
TL;DR: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 1023970-37-7) is a chemical compound with molecular formula C19H17BrN2O4 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C19H17BrN2O4 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 3.3329 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.03717 |
| Heavy Atoms | 26 |
| Complexity | 1014.18695 |
Chemical Identifiers
| CAS Number | 1023970-37-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)Br)O |
Product Overview
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 1023970-37-7), with molecular formula C19H17BrN2O4 and molecular weight 416.04 g/mol. IUPAC: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Property Insights of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
The XLogP value of 3.3329 indicates that 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid has 4 hydrogen bond donor(s) and 4 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 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The CAS number of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 1023970-37-7.
What is the molecular formula of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The molecular formula of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is C19H17BrN2O4.
What is the molecular weight of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The molecular weight of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 416.04 g/mol.
Where can I buy 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
You can request a quote for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.