![4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/799/799819-63-9.png)
4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 799819-63-9) is a chemical compound with molecular formula C26H29N3OS2 and molecular weight 463.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methylpropyl)-12-[(4-propan-2-yloxyphenyl)methylsulfanyl]-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Also Known As: 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-isobutyl-7-((4-isopropoxybenzyl)thio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C26H29N3OS2 |
|---|---|
| Molecular Weight | 463.18 g/mol |
| LogP | 7.0062 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.1752 |
| Heavy Atoms | 32 |
| Complexity | 1262.0332 |
Chemical Identifiers
| CAS Number | 799819-63-9 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SCC5=CC=C(C=C5)OC(C)C |
Product Overview
4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 799819-63-9), with molecular formula C26H29N3OS2 and molecular weight 463.18 g/mol. IUPAC: 7-(2-methylpropyl)-12-[(4-propan-2-yloxyphenyl)methylsulfanyl]-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene.
Chemical Property Profile of 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 7.0062 indicates that 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[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 47.9 Ų, 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[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, 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine 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 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 799819-63-9.
What is the molecular formula of 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C26H29N3OS2.
What is the molecular weight of 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 463.18 g/mol.
Where can I buy 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[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 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methylpropyl)-7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2,3-dihydro-1H-cyclopenta[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.