![6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one structure](/static/products/3804/380436-99-7.webp)
6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one
TL;DR: 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one (CAS 380436-99-7) is a chemical compound with molecular formula C17H24N2OS2 and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-octyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Also Known As: 11-Octyl-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one, 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one, 1,2,3,5,6,7-Hexahydro-3-octyl-2-thioxo-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 11-octyl-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 11-octyl-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C17H24N2OS2 |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 4.96979 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.133 |
| Heavy Atoms | 22 |
| Complexity | 769.28253 |
Chemical Identifiers
| CAS Number | 380436-99-7 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)C2=C(NC1=S)SC3=C2CCC3 |
Product Overview
6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one (CAS 380436-99-7), with molecular formula C17H24N2OS2 and molecular weight 336.13 g/mol. IUPAC: 11-octyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one.
Chemical Property Profile of 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one
Property Insights of 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one
The XLogP value of 4.96979 indicates that 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one has 1 hydrogen bond donor(s) and 3 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 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one?
The CAS number of 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one is 380436-99-7.
What is the molecular formula of 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one?
The molecular formula of 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one is C17H24N2OS2.
What is the molecular weight of 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one?
The molecular weight of 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one is 336.13 g/mol.
Where can I buy 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one?
You can request a quote for 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Mercapto-5-octyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.