![3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/372/372089-32-2.png)
3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 372089-32-2) is a chemical compound with molecular formula C24H36N2OS2 and molecular weight 432.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-heptylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-tert-butyl-2-(heptylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 7-tert-butyl-2-heptylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H36N2OS2 |
|---|---|
| Molecular Weight | 432.23 g/mol |
| LogP | 6.8575 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.2269 |
| Heavy Atoms | 29 |
| Complexity | 904.21216 |
Chemical Identifiers
| CAS Number | 372089-32-2 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC=C |
Product Overview
3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 372089-32-2), with molecular formula C24H36N2OS2 and molecular weight 432.23 g/mol. IUPAC: 7-tert-butyl-2-heptylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 6.8575 indicates that 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-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, 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-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 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 372089-32-2.
What is the molecular formula of 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C24H36N2OS2.
What is the molecular weight of 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 432.23 g/mol.
Where can I buy 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-7-(tert-butyl)-2-(heptylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.