![N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,3-dimethylpyrazole-4-carboxamide structure](/static/products/1005/1005679-77-5.webp)
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,3-dimethylpyrazole-4-carboxamide
TL;DR: N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,3-dimethylpyrazole-4-carboxamide (CAS 1005679-77-5) is a chemical compound with molecular formula C21H27N5O2S and molecular weight 413.19 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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-carboxamide, N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, N-[7-(TERT-BUTYL)-2-METHYL-4-OXO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXAMIDE
| Molecular Formula | C21H27N5O2S |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 3.34324 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.18854 |
| Heavy Atoms | 29 |
| Complexity | 1178.5863 |
Chemical Identifiers
| CAS Number | 1005679-77-5 |
|---|---|
| SMILES | CC1=NN(C=C1C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CC(CC4)C(C)(C)C)C)C |
Product Overview
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,3-dimethylpyrazole-4-carboxamide (CAS 1005679-77-5), with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol. IUPAC: N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-carboxamide
The XLogP value of 3.34324 indicates that N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-carboxamide is 1005679-77-5.
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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-carboxamide is C21H27N5O2S.
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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-carboxamide is 413.19 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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-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)-1,3-dimethylpyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.