![8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one structure](/static/products/500/500147-11-5.png)
8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
TL;DR: 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one (CAS 500147-11-5) is a chemical compound with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(2-methylprop-2-enyl)-14-propan-2-ylsulfanyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one
Also Known As: 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one, 9-(isopropylthio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
| Molecular Formula | C21H22N2OS2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 5.3002 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.11737 |
| Heavy Atoms | 26 |
| Complexity | 1075.54 |
Chemical Identifiers
| CAS Number | 500147-11-5 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC(=C)C |
Product Overview
8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one (CAS 500147-11-5), with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol. IUPAC: 13-(2-methylprop-2-enyl)-14-propan-2-ylsulfanyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one.
Chemical Property Profile of 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Property Insights of 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
The XLogP value of 5.3002 indicates that 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
The CAS number of 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one is 500147-11-5.
What is the molecular formula of 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
The molecular formula of 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one is C21H22N2OS2.
What is the molecular weight of 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
The molecular weight of 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one is 382.12 g/mol.
Where can I buy 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
You can request a quote for 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-methylprop-2-en-1-yl)-9-(propan-2-ylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.