![2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone structure](/static/products/488/488716-60-5.png)
2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone
TL;DR: 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 488716-60-5) is a chemical compound with molecular formula C20H19ClN4O2S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-amino-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3,5,7,9-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone, 2-[(4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
| Molecular Formula | C20H19ClN4O2S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 4.0867 |
| Topological Polar Surface Area | 90.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.09174 |
| Heavy Atoms | 28 |
| Complexity | 1069.9839 |
Chemical Identifiers
| CAS Number | 488716-60-5 |
|---|---|
| SMILES | CC1(CC2=NC3=NC(=NC(=C3C=C2CO1)N)SCC(=O)C4=CC=C(C=C4)Cl)C |
Product Overview
2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 488716-60-5), with molecular formula C20H19ClN4O2S and molecular weight 414.09 g/mol. IUPAC: 2-[(7-amino-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3,5,7,9-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone
Property Insights of 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone
The XLogP value of 4.0867 indicates that 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone. Following Lipinski's Rule of Five, 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone 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 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The CAS number of 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone is 488716-60-5.
What is the molecular formula of 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular formula of 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone is C20H19ClN4O2S.
What is the molecular weight of 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular weight of 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone is 414.09 g/mol.
Where can I buy 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
You can request a quote for 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.