![methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate structure](/static/products/103/1031223-69-4.png)
methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
TL;DR: methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 1031223-69-4) is a chemical compound with molecular formula C27H25N5O3 and molecular weight 467.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate, methyl 1-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
| Molecular Formula | C27H25N5O3 |
|---|---|
| Molecular Weight | 467.20 g/mol |
| LogP | 3.7462 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.19574 |
| Heavy Atoms | 35 |
| Complexity | 1553.3207 |
Chemical Identifiers
| CAS Number | 1031223-69-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)CN5C6=CC=CC=C6N=N5 |
Product Overview
methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 1031223-69-4), with molecular formula C27H25N5O3 and molecular weight 467.20 g/mol. IUPAC: methyl 1-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Property Insights of methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
The XLogP value of 3.7462 indicates that methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate 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 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The CAS number of methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 1031223-69-4.
What is the molecular formula of methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The molecular formula of methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is C27H25N5O3.
What is the molecular weight of methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The molecular weight of methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 467.20 g/mol.
Where can I buy methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
You can request a quote for methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.