![2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/799/799786-22-4.png)
2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 799786-22-4) is a chemical compound with molecular formula C28H33N3O2S2 and molecular weight 507.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-8-(2-methylpropyl)-13-[(4-propan-2-yloxyphenyl)methylsulfanyl]-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 5-isobutyl-8-((4-isopropoxybenzyl)thio)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C28H33N3O2S2 |
|---|---|
| Molecular Weight | 507.20 g/mol |
| LogP | 7.3688 |
| Topological Polar Surface Area | 57.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.20142 |
| Heavy Atoms | 35 |
| Complexity | 1360.6483 |
Chemical Identifiers
| CAS Number | 799786-22-4 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)SCC5=CC=C(C=C5)OC(C)C |
Product Overview
2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 799786-22-4), with molecular formula C28H33N3O2S2 and molecular weight 507.20 g/mol. IUPAC: 4,4-dimethyl-8-(2-methylpropyl)-13-[(4-propan-2-yloxyphenyl)methylsulfanyl]-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Chemical Property Profile of 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 7.3688 indicates that 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.13 Ų, 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 799786-22-4.
What is the molecular formula of 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C28H33N3O2S2.
What is the molecular weight of 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 507.20 g/mol.
Where can I buy 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.