![methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate structure](/static/products/102/1024593-87-0.png)
methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
TL;DR: methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 1024593-87-0) is a chemical compound with molecular formula C31H32N2O6 and molecular weight 528.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[3-[(2-ethoxycarbonylphenyl)methoxymethyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-[3-({[2-(ethoxycarbonyl)benzyl]oxy}methyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate, methyl 1-[3-[(2-ethoxycarbonylphenyl)methoxymethyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
| Molecular Formula | C31H32N2O6 |
|---|---|
| Molecular Weight | 528.23 g/mol |
| LogP | 4.8467 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.226 |
| Heavy Atoms | 39 |
| Complexity | 1493.7231 |
Chemical Identifiers
| CAS Number | 1024593-87-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1COCC2=C(C=CC(=C2)C3C4=C(CC(N3)C(=O)OC)C5=CC=CC=C5N4)OC |
Product Overview
methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 1024593-87-0), with molecular formula C31H32N2O6 and molecular weight 528.23 g/mol. IUPAC: methyl 1-[3-[(2-ethoxycarbonylphenyl)methoxymethyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Property Insights of methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
The XLogP value of 4.8467 indicates that methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)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 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)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-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The CAS number of methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 1024593-87-0.
What is the molecular formula of methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The molecular formula of methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is C31H32N2O6.
What is the molecular weight of methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The molecular weight of methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 528.23 g/mol.
Where can I buy methyl 1-(3-(((2-(ethoxycarbonyl)benzyl)oxy)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-(((2-(ethoxycarbonyl)benzyl)oxy)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-(((2-(ethoxycarbonyl)benzyl)oxy)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-(((2-(ethoxycarbonyl)benzyl)oxy)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.