![2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/498/498570-51-7.png)
2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
TL;DR: 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 498570-51-7) is a chemical compound with molecular formula C29H31N3O3S and molecular weight 501.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,13-dimethyl-6-(3-methylphenyl)-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 8,8-dimethyl-3-(3-methylphenyl)-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C29H31N3O3S |
|---|---|
| Molecular Weight | 501.21 g/mol |
| LogP | 6.01992 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.20862 |
| Heavy Atoms | 36 |
| Complexity | 1476.1177 |
Chemical Identifiers
| CAS Number | 498570-51-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C4CC(OCC4=C3)(C)C)N=C2SCC5=CC=C(C=C5)OC(C)C |
Product Overview
2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 498570-51-7), with molecular formula C29H31N3O3S and molecular weight 501.21 g/mol. IUPAC: 13,13-dimethyl-6-(3-methylphenyl)-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
Property Insights of 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 6.01992 indicates that 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-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. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one. Following Lipinski's Rule of Five, 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 498570-51-7.
What is the molecular formula of 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C29H31N3O3S.
What is the molecular weight of 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 501.21 g/mol.
Where can I buy 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-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 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-isopropoxybenzyl)thio)-8,8-dimethyl-3-(m-tolyl)-8,9-dihydro-3H-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.