![N-benzyl-2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide structure](/static/products/841/841207-39-4.png)
N-benzyl-2-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 841207-39-4) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(6-ethyl-13,13-dimethyl-7-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide, N-benzyl-2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C23H26N4O3S |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 3.0712 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.17258 |
| Heavy Atoms | 31 |
| Complexity | 1174.8954 |
Chemical Identifiers
| CAS Number | 841207-39-4 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CC(OCC3=C2)(C)C)N=C1SCC(=O)NCC4=CC=CC=C4 |
Product Overview
N-benzyl-2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 841207-39-4), with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol. IUPAC: N-benzyl-2-[(6-ethyl-13,13-dimethyl-7-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide
The XLogP value of 3.0712 indicates that N-benzyl-2-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide is 841207-39-4.
What is the molecular formula of N-benzyl-2-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide is C23H26N4O3S.
What is the molecular weight of N-benzyl-2-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide is 438.17 g/mol.
Where can I buy N-benzyl-2-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-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-((3-ethyl-8,8-dimethyl-4-oxo-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.