CAS 674800-90-9 - C16H17N3O6S2
TL;DR: CAS 674800-90-9 - C16H17N3O6S2 (CAS 674800-90-9) is a chemical compound with molecular formula C16H17N3O6S2 and molecular weight 411.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2,4-diethyl 5-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C16H17N3O6S2 |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 2.61201 |
| Topological Polar Surface Area | 133.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.05588 |
| Heavy Atoms | 27 |
| Complexity | 1018.13855 |
Chemical Identifiers
| CAS Number | 674800-90-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N=CC2=C(NC(=S)NC2=O)O |
Product Overview
CAS 674800-90-9 - C16H17N3O6S2 (CAS 674800-90-9), with molecular formula C16H17N3O6S2 and molecular weight 411.06 g/mol. IUPAC: diethyl 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of CAS 674800-90-9 - C16H17N3O6S2
Property Insights of CAS 674800-90-9 - C16H17N3O6S2
The XLogP value of 2.61201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 674800-90-9 - C16H17N3O6S2. The TPSA of 133.84 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 674800-90-9 - C16H17N3O6S2. Following Lipinski's Rule of Five, CAS 674800-90-9 - C16H17N3O6S2 has 3 hydrogen bond donor(s) and 9 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 CAS 674800-90-9 - C16H17N3O6S2?
The CAS number of CAS 674800-90-9 - C16H17N3O6S2 is 674800-90-9.
What is the molecular formula of CAS 674800-90-9 - C16H17N3O6S2?
The molecular formula of CAS 674800-90-9 - C16H17N3O6S2 is C16H17N3O6S2.
What is the molecular weight of CAS 674800-90-9 - C16H17N3O6S2?
The molecular weight of CAS 674800-90-9 - C16H17N3O6S2 is 411.06 g/mol.
Where can I buy CAS 674800-90-9 - C16H17N3O6S2?
You can request a quote for CAS 674800-90-9 - C16H17N3O6S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 674800-90-9 - C16H17N3O6S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 674800-90-9 - C16H17N3O6S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.