![N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide structure](/static/products/1005/1005563-72-3.webp)
N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide
TL;DR: N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide (CAS 1005563-72-3) is a chemical compound with molecular formula C18H21N5O2S and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide
Also Known As: N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide, N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-5-carboxamide, N-[2,7-DIMETHYL-4-OXO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]-1-ETHYL-1H-PYRAZOLE-5-CARBOXAMIDE
| Molecular Formula | C18H21N5O2S |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 2.49152 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.1416 |
| Heavy Atoms | 26 |
| Complexity | 1061.6414 |
Chemical Identifiers
| CAS Number | 1005563-72-3 |
|---|---|
| SMILES | CCN1C(=CC=N1)C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CC(CC4)C)C |
Product Overview
N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide (CAS 1005563-72-3), with molecular formula C18H21N5O2S and molecular weight 371.14 g/mol. IUPAC: N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide.
Chemical Property Profile of N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide
Property Insights of N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide
The XLogP value of 2.49152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-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-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide?
The CAS number of N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide is 1005563-72-3.
What is the molecular formula of N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide?
The molecular formula of N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide is C18H21N5O2S.
What is the molecular weight of N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide?
The molecular weight of N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide is 371.14 g/mol.
Where can I buy N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide?
You can request a quote for N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-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-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-ethylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.