4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate
TL;DR: 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate (CAS 398472-37-2) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 2-carbamimidoylsulfanylacetate
Also Known As: TimTec1_004469, 4-methyl-2-oxochromen-7-yl 2-amidinothioacetate, 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate, 4-methyl-2-oxo-2H-chromen-7-yl {[amino(imino)methyl]sulfanyl}acetate, A1835/0077315
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 1.63349 |
| Topological Polar Surface Area | 106.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 738.7189 |
Chemical Identifiers
| CAS Number | 398472-37-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CSC(=N)N |
Product Overview
4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate (CAS 398472-37-2), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 2-carbamimidoylsulfanylacetate.
Chemical Property Profile of 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate
Property Insights of 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate
The XLogP value of 1.63349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate. The TPSA of 106.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate. Following Lipinski's Rule of Five, 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate has 2 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 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate?
The CAS number of 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate is 398472-37-2.
What is the molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate?
The molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate is C13H12N2O4S.
What is the molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate?
The molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate is 292.05 g/mol.
Where can I buy 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate?
You can request a quote for 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-oxo-2H-chromen-7-yl (carbamimidoylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.