![(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate structure](/static/products/851/851907-12-5.png)
(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
TL;DR: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate (CAS 851907-12-5) is a chemical compound with molecular formula C18H13N3O3S2 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate, {13-oxo-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,9,11-pentaen-11-yl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C18H13N3O3S2 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 3.3831 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.03983 |
| Heavy Atoms | 26 |
| Complexity | 1183.2059 |
Chemical Identifiers
| CAS Number | 851907-12-5 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2 |
Product Overview
(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate (CAS 851907-12-5), with molecular formula C18H13N3O3S2 and molecular weight 383.04 g/mol. IUPAC: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Property Insights of (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
The XLogP value of 3.3831 indicates that (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate. Following Lipinski's Rule of Five, (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The CAS number of (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate is 851907-12-5.
What is the molecular formula of (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The molecular formula of (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate is C18H13N3O3S2.
What is the molecular weight of (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The molecular weight of (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate is 383.04 g/mol.
Where can I buy (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
You can request a quote for (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.