3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone
TL;DR: 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone (CAS 66433-86-1) is a chemical compound with molecular formula C9H10N4OS and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,7-trimethyl-2-sulfanylidene-1H-pteridin-4-one
Also Known As: 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone, 3,6,7-trimethyl-2-sulfanylidene-1H-pteridin-4-one, AB-323/13887192, 4(1H)-Pteridinone, 2,3-dihydro-3,6,7-trimethyl-2-thioxo-, 3,6,7-Trimethyl-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
| Molecular Formula | C9H10N4OS |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.00293 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.05753 |
| Heavy Atoms | 15 |
| Complexity | 655.43555 |
Chemical Identifiers
| CAS Number | 66433-86-1 |
|---|---|
| SMILES | CC1=C(N=C2C(=N1)C(=O)N(C(=S)N2)C)C |
Product Overview
3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone (CAS 66433-86-1), with molecular formula C9H10N4OS and molecular weight 222.06 g/mol. IUPAC: 3,6,7-trimethyl-2-sulfanylidene-1H-pteridin-4-one.
Chemical Property Profile of 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone
Property Insights of 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone
The XLogP value of 1.00293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone. Following Lipinski's Rule of Five, 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone has 1 hydrogen bond donor(s) and 4 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 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone?
The CAS number of 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone is 66433-86-1.
What is the molecular formula of 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone?
The molecular formula of 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone is C9H10N4OS.
What is the molecular weight of 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone?
The molecular weight of 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone is 222.06 g/mol.
Where can I buy 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone?
You can request a quote for 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone?
Yes, KEHONG BIO provides custom synthesis services for 3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.