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6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one
TL;DR: 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one (CAS 70026-92-5) is a chemical compound with molecular formula C8H7N3OS and molecular weight 193.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one
Also Known As: Oc1nc(S)nc2cnc(C)cc12, 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one, 6-Methyl-2-sulfanylidene-2,3-dihydropyrido[3,4-d]pyrimidin-4(1H)-one
| Molecular Formula | C8H7N3OS |
|---|---|
| Molecular Weight | 193.03 g/mol |
| LogP | 1.28911 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.03099 |
| Heavy Atoms | 13 |
| Complexity | 569.34625 |
Chemical Identifiers
| CAS Number | 70026-92-5 |
|---|---|
| SMILES | CC1=CC2=C(C=N1)NC(=S)NC2=O |
Product Overview
6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one (CAS 70026-92-5), with molecular formula C8H7N3OS and molecular weight 193.03 g/mol. IUPAC: 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one.
Chemical Property Profile of 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one
Property Insights of 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one
The XLogP value of 1.28911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one has 2 hydrogen bond donor(s) and 3 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 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one?
The CAS number of 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one is 70026-92-5.
What is the molecular formula of 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one?
The molecular formula of 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one is C8H7N3OS.
What is the molecular weight of 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one?
The molecular weight of 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one is 193.03 g/mol.
Where can I buy 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one?
You can request a quote for 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-sulfanylidene-1H-pyrido[3,4-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.