Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate
TL;DR: Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate (CAS 101372-77-4) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate
Also Known As: Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate, methyl 1-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate, 1H-Pyrido(3,4-b)indole-1-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-, methyl ester, Methyl 6-(benzyloxy)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate, 1H-Pyrido(3,4-b)indole-1-carboxylic acid,2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-,methyl ester
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 101372-77-4 |
|---|---|
| SMILES | CC1(C2=C(CCN1)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)C(=O)OC |
| InChIKey | JJFPVJJHURCIGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate (CAS 101372-77-4), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: methyl 1-methyl-6-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate.
Chemical Property Profile of Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate
Property Insights of Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate
The XLogP value of 3.3 indicates that Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate. Following Lipinski's Rule of Five, Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate 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 Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate?
The CAS number of Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate is 101372-77-4.
What is the molecular formula of Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate?
The molecular formula of Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate is C21H22N2O3.
What is the molecular weight of Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate?
The molecular weight of Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate is 350.16 g/mol.
Where can I buy Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate?
You can request a quote for Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,4,9-tetrahydro-1-methyl-6-(phenylmethoxy)-1H-pyrido(3,4-b)indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.