methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate
TL;DR: methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate (CAS 204717-44-2) is a chemical compound with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: J1.109.909B, methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate, methyl 1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-(p-tolyl)-9H-pyrido[3,4-b]indole-3-carboxylate, 1-(4-Methylphenyl)-beta-carboline-3-carboxylic acid methyl ester
| Molecular Formula | C20H16N2O2 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 4.47812 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1212 |
| Heavy Atoms | 24 |
| Complexity | 1062.3372 |
Chemical Identifiers
| CAS Number | 204717-44-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)OC)C4=CC=CC=C4N3 |
Product Overview
methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate (CAS 204717-44-2), with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol. IUPAC: methyl 1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate
Property Insights of methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate
The XLogP value of 4.47812 indicates that methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate has 1 hydrogen bond donor(s) and 3 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-(4-methylphenyl)-9H-beta-carboline-3-carboxylate?
The CAS number of methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate is 204717-44-2.
What is the molecular formula of methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate?
The molecular formula of methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate is C20H16N2O2.
What is the molecular weight of methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate?
The molecular weight of methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate is 316.12 g/mol.
Where can I buy methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate?
You can request a quote for methyl 1-(4-methylphenyl)-9H-beta-carboline-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-(4-methylphenyl)-9H-beta-carboline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(4-methylphenyl)-9H-beta-carboline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.