![N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide structure](/static/products/1005/1005580-35-7.webp)
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide
TL;DR: N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide (CAS 1005580-35-7) is a chemical compound with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide
Also Known As: N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide, N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-methyl-1H-pyrazole-3-carboxamide, N-[7-(TERT-BUTYL)-2-METHYL-4-OXO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C20H25N5O2S |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.03482 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.17288 |
| Heavy Atoms | 28 |
| Complexity | 1132.1039 |
Chemical Identifiers
| CAS Number | 1005580-35-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1NC(=O)C4=NN(C=C4)C |
Product Overview
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide (CAS 1005580-35-7), with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol. IUPAC: N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide
Property Insights of N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide
The XLogP value of 3.03482 indicates that N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide 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 N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide?
The CAS number of N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide is 1005580-35-7.
What is the molecular formula of N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide?
The molecular formula of N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide is C20H25N5O2S.
What is the molecular weight of N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide?
The molecular weight of N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide is 399.17 g/mol.
Where can I buy N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide?
You can request a quote for N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-methylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.