![3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid structure](/static/products/4626/462606-87-7.webp)
3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid
TL;DR: 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid (CAS 462606-87-7) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-9-oxo-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene-11-carboxylic acid
Also Known As: 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid, 3,4-dimethoxy-5-oxo-6,7,8,13b-tetrahydroisoindolino[1,2-a]beta-carboline-7-car boxylic acid, Cambridge id 5115809
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 2.7396 |
| Topological Polar Surface Area | 91.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 1149.1486 |
Chemical Identifiers
| CAS Number | 462606-87-7 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C3C4=C(CC(N3C2=O)C(=O)O)C5=CC=CC=C5N4)OC |
Product Overview
3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid (CAS 462606-87-7), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: 6,7-dimethoxy-9-oxo-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene-11-carboxylic acid.
Chemical Property Profile of 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid
Property Insights of 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid
The XLogP value of 2.7396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid. The TPSA of 91.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid. Following Lipinski's Rule of Five, 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid has 2 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 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid?
The CAS number of 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid is 462606-87-7.
What is the molecular formula of 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid?
The molecular formula of 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid is C21H18N2O5.
What is the molecular weight of 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid?
The molecular weight of 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid is 378.12 g/mol.
Where can I buy 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid?
You can request a quote for 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-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 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.