![1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one structure](/static/products/3740/374084-38-5.webp)
1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one
TL;DR: 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one (CAS 374084-38-5) is a chemical compound with molecular formula C17H14N4O2S2 and molecular weight 370.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methoxyphenyl)-3-sulfanylidene-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),5,10(14)-trien-8-one
Also Known As: 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one, 1-mercapto-4-(4-methoxyphenyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 4-(4-methoxyphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-(4-Methoxyphenyl)-1-sulfanylidene-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, 7-(4-methoxyphenyl)-3-sulfanylidene-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),5,10(14)-trien-8-one
| Molecular Formula | C17H14N4O2S2 |
|---|---|
| Molecular Weight | 370.06 g/mol |
| LogP | 3.25479 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.05582 |
| Heavy Atoms | 25 |
| Complexity | 1244.3503 |
Chemical Identifiers
| CAS Number | 374084-38-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC5 |
Product Overview
1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one (CAS 374084-38-5), with molecular formula C17H14N4O2S2 and molecular weight 370.06 g/mol. IUPAC: 7-(4-methoxyphenyl)-3-sulfanylidene-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),5,10(14)-trien-8-one.
Chemical Property Profile of 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one
Property Insights of 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one
The XLogP value of 3.25479 indicates that 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one. Following Lipinski's Rule of Five, 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one has 1 hydrogen bond donor(s) and 5 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 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one?
The CAS number of 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one is 374084-38-5.
What is the molecular formula of 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one?
The molecular formula of 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one is C17H14N4O2S2.
What is the molecular weight of 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one?
The molecular weight of 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one is 370.06 g/mol.
Where can I buy 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one?
You can request a quote for 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Mercapto-4-(4-methoxy-phenyl)-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indace n-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.