![4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one structure](/static/products/351/351005-01-1.png)
4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
TL;DR: 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one (CAS 351005-01-1) is a chemical compound with molecular formula C16H20N4OS2 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-butyl-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one
Also Known As: 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 4-butyl-1-sulfanyl-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C16H20N4OS2 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 3.83729 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.10785 |
| Heavy Atoms | 23 |
| Complexity | 991.4881 |
Chemical Identifiers
| CAS Number | 351005-01-1 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(N3C1=NNC3=S)SC4=C2CCCCC4 |
Product Overview
4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one (CAS 351005-01-1), with molecular formula C16H20N4OS2 and molecular weight 348.11 g/mol. IUPAC: 16-butyl-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one.
Chemical Property Profile of 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
Property Insights of 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
The XLogP value of 3.83729 indicates that 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The CAS number of 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is 351005-01-1.
What is the molecular formula of 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The molecular formula of 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is C16H20N4OS2.
What is the molecular weight of 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The molecular weight of 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is 348.11 g/mol.
Where can I buy 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
You can request a quote for 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-1-mercapto-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.