![N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide structure](/static/products/899/899401-08-2.png)
N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 899401-08-2) is a chemical compound with molecular formula C15H12ClN3O3S and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-3-pyridinyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-((2-chloropyridin-3-yl)carbamothioyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
| Molecular Formula | C15H12ClN3O3S |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 2.633 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.02878 |
| Heavy Atoms | 23 |
| Complexity | 769.3824 |
Chemical Identifiers
| CAS Number | 899401-08-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(N=CC=C3)Cl |
Product Overview
N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 899401-08-2), with molecular formula C15H12ClN3O3S and molecular weight 349.03 g/mol. IUPAC: N-[(2-chloro-3-pyridinyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 2.633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has 2 hydrogen bond donor(s) and 5 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-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 899401-08-2.
What is the molecular formula of N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C15H12ClN3O3S.
What is the molecular weight of N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 349.03 g/mol.
Where can I buy N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chloropyridin-3-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.