![methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate structure](/static/products/858/858769-72-9.png)
methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate
TL;DR: methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate (CAS 858769-72-9) is a chemical compound with molecular formula C24H23N3O6 and molecular weight 449.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(2-ethoxy-2-oxoacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]benzoate
Also Known As: methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate, methyl 2-[({1-[ethoxy(oxo)acetyl]-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl}carbonyl)amino]benzoate, methyl 2-[[1-(2-ethoxy-2-oxoacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]benzoate
| Molecular Formula | C24H23N3O6 |
|---|---|
| Molecular Weight | 449.16 g/mol |
| LogP | 3.218 |
| Topological Polar Surface Area | 117.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.1587 |
| Heavy Atoms | 33 |
| Complexity | 1247.9803 |
Chemical Identifiers
| CAS Number | 858769-72-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1C2=C(CCN1C(=O)NC3=CC=CC=C3C(=O)OC)C4=CC=CC=C4N2 |
Product Overview
methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate (CAS 858769-72-9), with molecular formula C24H23N3O6 and molecular weight 449.16 g/mol. IUPAC: methyl 2-[[1-(2-ethoxy-2-oxoacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]benzoate.
Chemical Property Profile of methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate
Property Insights of methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate
The XLogP value of 3.218 indicates that methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate has 2 hydrogen bond donor(s) and 6 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 methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate?
The CAS number of methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate is 858769-72-9.
What is the molecular formula of methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate?
The molecular formula of methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate is C24H23N3O6.
What is the molecular weight of methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate?
The molecular weight of methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate is 449.16 g/mol.
Where can I buy methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate?
You can request a quote for methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1-(2-ethoxy-2-oxoacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.