N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CAS 873856-37-2) is a chemical compound with molecular formula C21H15N3O3S and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(benzo[d]thiazol-2-yl)nicotinamide, N-[(2H-13-BENZODIOXOL-5-YL)METHYL]-2-(13-BENZOTHIAZOL-2-YL)PYRIDINE-3-CARBOXAMIDE
| Molecular Formula | C21H15N3O3S |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 4.017 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0834 |
| Heavy Atoms | 28 |
| Complexity | 1155.4633 |
Chemical Identifiers
| CAS Number | 873856-37-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)C4=NC5=CC=CC=C5S4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CAS 873856-37-2), with molecular formula C21H15N3O3S and molecular weight 389.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
The XLogP value of 4.017 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide has 1 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide is 873856-37-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide is C21H15N3O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide is 389.08 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-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-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.