![9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one structure](/static/products/489/489440-89-3.png)
9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
TL;DR: 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one (CAS 489440-89-3) is a chemical compound with molecular formula C22H24N2OS2 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-butylsulfanyl-13-(2-methylprop-2-enyl)-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: 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one, 9-(butylthio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
| Molecular Formula | C22H24N2OS2 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 5.6919 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.133 |
| Heavy Atoms | 27 |
| Complexity | 1077.8417 |
Chemical Identifiers
| CAS Number | 489440-89-3 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC(=C)C |
Product Overview
9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one (CAS 489440-89-3), with molecular formula C22H24N2OS2 and molecular weight 396.13 g/mol. IUPAC: 14-butylsulfanyl-13-(2-methylprop-2-enyl)-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 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Property Insights of 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
The XLogP value of 5.6919 indicates that 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-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, 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-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, 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-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 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
The CAS number of 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one is 489440-89-3.
What is the molecular formula of 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
The molecular formula of 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one is C22H24N2OS2.
What is the molecular weight of 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
The molecular weight of 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one is 396.13 g/mol.
Where can I buy 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
You can request a quote for 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-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 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(butylsulfanyl)-8-(2-methylprop-2-en-1-yl)-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.