N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide (CAS 898648-58-3) is a chemical compound with molecular formula C13H10ClN3O3S and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: VU0608963-1, N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide, F3290-0131, N-(benzo[d][1,3]dioxol-5-yl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide, N-(1,3-benzodioxol-5-yl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
| Molecular Formula | C13H10ClN3O3S |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 2.8329 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.01315 |
| Heavy Atoms | 21 |
| Complexity | 711.05597 |
Chemical Identifiers
| CAS Number | 898648-58-3 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCO3)Cl |
Product Overview
N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide (CAS 898648-58-3), with molecular formula C13H10ClN3O3S and molecular weight 323.01 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
The XLogP value of 2.8329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-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-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is 898648-58-3.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is C13H10ClN3O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is 323.01 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-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-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.