N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide
TL;DR: N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide (CAS 859862-71-8) is a chemical compound with molecular formula C20H15Cl2N3O and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dichlorophenyl)methyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Also Known As: N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide, N-(3,4-dichlorobenzyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide, N-[(3,4-dichlorophenyl)methyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
| Molecular Formula | C20H15Cl2N3O |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 5.26132 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0592 |
| Heavy Atoms | 26 |
| Complexity | 1150.6769 |
Chemical Identifiers
| CAS Number | 859862-71-8 |
|---|---|
| SMILES | CC1=C2C(=CC(=N1)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4N2 |
Product Overview
N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide (CAS 859862-71-8), with molecular formula C20H15Cl2N3O and molecular weight 383.06 g/mol. IUPAC: N-[(3,4-dichlorophenyl)methyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
Chemical Property Profile of N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide
Property Insights of N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide
The XLogP value of 5.26132 indicates that N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.78 Ų, N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide?
The CAS number of N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide is 859862-71-8.
What is the molecular formula of N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide?
The molecular formula of N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide is C20H15Cl2N3O.
What is the molecular weight of N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide?
The molecular weight of N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide is 383.06 g/mol.
Where can I buy N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide?
You can request a quote for N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dichlorobenzyl)-1-methyl-9H-beta-carboline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.