![5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/331/331819-56-8.png)
5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one (CAS 331819-56-8) is a chemical compound with molecular formula C7H5N3O3S and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-nitro-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one, 5-methyl-6-nitro-3H-thieno[2,3-d]pyrimidin-4-one, 5-methyl-6-nitro-3-hydrothiopheno[2,3-d]pyrimidin-4-one, 5-METHYL-6-NITRO-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE, 9-methyl-8-nitro-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-2-one
| Molecular Formula | C7H5N3O3S |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 1.20122 |
| Topological Polar Surface Area | 88.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.00516 |
| Heavy Atoms | 14 |
| Complexity | 571.05396 |
Chemical Identifiers
| CAS Number | 331819-56-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC=N2)[N+](=O)[O-] |
Product Overview
5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one (CAS 331819-56-8), with molecular formula C7H5N3O3S and molecular weight 211.01 g/mol. IUPAC: 5-methyl-6-nitro-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 1.20122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one. The TPSA of 88.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 5 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 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one is 331819-56-8.
What is the molecular formula of 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one is C7H5N3O3S.
What is the molecular weight of 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one is 211.01 g/mol.
Where can I buy 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-6-nitrothieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.