![N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide structure](/static/products/5128/512825-63-7.webp)
N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
TL;DR: N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (CAS 512825-63-7) is a chemical compound with molecular formula C24H29N7O2S and molecular weight 479.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
Also Known As: N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide, N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-2-[3-(2H-tetraazol-2-yl)-1-adamantyl]acetamide, N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-2-[3-(2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide, N-[2-METHYL-4-OXO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]-2-[3-(2H-1,2,3,4-TETRAAZOL-2-YL)-1-ADAMANTYL]ACETAMIDE
| Molecular Formula | C24H29N7O2S |
|---|---|
| Molecular Weight | 479.21 g/mol |
| LogP | 3.08762 |
| Topological Polar Surface Area | 107.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.21036 |
| Heavy Atoms | 34 |
| Complexity | 1343.8041 |
Chemical Identifiers
| CAS Number | 512825-63-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CC45CC6CC(C4)CC(C6)(C5)N7N=CN=N7 |
Product Overview
N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (CAS 512825-63-7), with molecular formula C24H29N7O2S and molecular weight 479.21 g/mol. IUPAC: N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.
Chemical Property Profile of N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
Property Insights of N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
The XLogP value of 3.08762 indicates that N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide. Following Lipinski's Rule of Five, N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide has 1 hydrogen bond donor(s) and 7 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-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The CAS number of N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is 512825-63-7.
What is the molecular formula of N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The molecular formula of N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is C24H29N7O2S.
What is the molecular weight of N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The molecular weight of N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is 479.21 g/mol.
Where can I buy N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
You can request a quote for N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-2-[3-(tetrazol-2-yl)-1-adamantyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.