1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide
TL;DR: 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide (CAS 859664-41-8) is a chemical compound with molecular formula C26H19N3O3 and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-pyrido[3,4-b]indole-3-carboxamide
Also Known As: 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide, 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-pyrido[3,4-b]indole-3-carboxamide, 1-(benzo[d][1,3]dioxol-5-yl)-N-benzyl-9H-pyrido[3,4-b]indole-3-carboxamide
| Molecular Formula | C26H19N3O3 |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 5.0418 |
| Topological Polar Surface Area | 76.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.14264 |
| Heavy Atoms | 32 |
| Complexity | 1474.5192 |
Chemical Identifiers
| CAS Number | 859664-41-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCC5=CC=CC=C5)C6=CC=CC=C6N4 |
Product Overview
1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide (CAS 859664-41-8), with molecular formula C26H19N3O3 and molecular weight 421.14 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-pyrido[3,4-b]indole-3-carboxamide.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide
Property Insights of 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide
The XLogP value of 5.0418 indicates that 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide?
The CAS number of 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide is 859664-41-8.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide is C26H19N3O3.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide is 421.14 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-N-benzyl-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 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-beta-carboline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.