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Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-
TL;DR: Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- (CAS 55056-26-3) is a chemical compound with molecular formula C9H8N2OS2 and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Also Known As: ChemDiv1_002538, BAS 00609338, Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-, AE-848/34085052, 4-Hydroxy trimethylenethieno[2,3-d]pyrimidin-2-thiol
| Molecular Formula | C9H8N2OS2 |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | 2.13589 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.00781 |
| Heavy Atoms | 14 |
| Complexity | 619.75415 |
Chemical Identifiers
| CAS Number | 55056-26-3 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=S)N3 |
Product Overview
Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- (CAS 55056-26-3), with molecular formula C9H8N2OS2 and molecular weight 224.01 g/mol. IUPAC: 10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one.
Chemical Property Profile of Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-
Property Insights of Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-
The XLogP value of 2.13589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-. With a topological polar surface area (TPSA) of 48.65 Ų, Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- has 2 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 Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-?
The CAS number of Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- is 55056-26-3.
What is the molecular formula of Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-?
The molecular formula of Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- is C9H8N2OS2.
What is the molecular weight of Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-?
The molecular weight of Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- is 224.01 g/mol.
Where can I buy Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-?
You can request a quote for Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopenta[a]inden-4-one, 6-mercapto-1,2,3,5-tetrahydro-8-thia-5,7-diaza- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.