![N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide structure](/static/products/859/859665-34-2.png)
N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
TL;DR: N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide (CAS 859665-34-2) is a chemical compound with molecular formula C22H17N3O3 and molecular weight 371.13 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-prop-2-enyl-9H-pyrido[3,4-b]indole-3-carboxamide
Also Known As: 1-(1,3-benzodioxol-5-yl)-N-(prop-2-en-1-yl)-9H-beta-carboline-3-carboxamide, 1-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-9H-pyrido[3,4-b]indole-3-carboxamide, N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
| Molecular Formula | C22H17N3O3 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 4.0276 |
| Topological Polar Surface Area | 76.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.12698 |
| Heavy Atoms | 28 |
| Complexity | 1242.7268 |
Chemical Identifiers
| CAS Number | 859665-34-2 |
|---|---|
| SMILES | C=CCNC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5 |
Product Overview
N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide (CAS 859665-34-2), with molecular formula C22H17N3O3 and molecular weight 371.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-9H-pyrido[3,4-b]indole-3-carboxamide.
Chemical Property Profile of N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
Property Insights of N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
The XLogP value of 4.0276 indicates that N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-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 N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide. Following Lipinski's Rule of Five, N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide 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 N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The CAS number of N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide is 859665-34-2.
What is the molecular formula of N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The molecular formula of N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide is C22H17N3O3.
What is the molecular weight of N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The molecular weight of N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide is 371.13 g/mol.
Where can I buy N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
You can request a quote for N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-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-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-1-(benzo[d][1,3]dioxol-5-yl)-9H-pyrido[3,4-b]indole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.