![N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide structure](/static/products/578/578746-64-2.png)
N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide
TL;DR: N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 578746-64-2) is a chemical compound with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(13,13-dimethyl-7-oxo-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetamide
Also Known As: N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide, N-Benzyl-2-(7,7-dimethyl-4-oxo-3-phenyl-3,5,7,8-tetrahydro-4H-6-oxa-1,3,9-triaza-anthracen-2-ylsulfany l)-acetamide, N-benzyl-2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C27H26N4O3S |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 4.0405 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.17258 |
| Heavy Atoms | 35 |
| Complexity | 1436.0328 |
Chemical Identifiers
| CAS Number | 578746-64-2 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC(=O)NCC4=CC=CC=C4)C5=CC=CC=C5)C |
Product Overview
N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 578746-64-2), with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol. IUPAC: N-benzyl-2-[(13,13-dimethyl-7-oxo-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetamide.
Chemical Property Profile of N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide
Property Insights of N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide
The XLogP value of 4.0405 indicates that N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide has 1 hydrogen bond donor(s) and 6 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-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide?
The CAS number of N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide is 578746-64-2.
What is the molecular formula of N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular formula of N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide is C27H26N4O3S.
What is the molecular weight of N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular weight of N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide is 486.17 g/mol.
Where can I buy N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide?
You can request a quote for N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.