![3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/372/372974-13-5.png)
3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
TL;DR: 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 372974-13-5) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-13-ethyl-13-methyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one
Also Known As: 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 3-benzyl-8-ethyl-8-methyl-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.74379 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 1087.892 |
Chemical Identifiers
| CAS Number | 372974-13-5 |
|---|---|
| SMILES | CCC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=S)N3)CC4=CC=CC=C4)C |
Product Overview
3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 372974-13-5), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: 6-benzyl-13-ethyl-13-methyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one.
Chemical Property Profile of 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
Property Insights of 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 3.74379 indicates that 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one has 1 hydrogen bond donor(s) and 4 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 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 372974-13-5.
What is the molecular formula of 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C20H21N3O2S.
What is the molecular weight of 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 367.14 g/mol.
Where can I buy 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-8-ethyl-8-methyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.