![2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid structure](/static/products/5544/554407-97-5.webp)
2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid
TL;DR: 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid (CAS 554407-97-5) is a chemical compound with molecular formula C16H12N2O2S2 and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)benzoic acid
Also Known As: 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid, 2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}benzoic acid, 2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)benzoic acid, 2-[(6,7-Dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid, 2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)benzoic acid
| Molecular Formula | C16H12N2O2S2 |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 4.0294 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.03403 |
| Heavy Atoms | 22 |
| Complexity | 888.9832 |
Chemical Identifiers
| CAS Number | 554407-97-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SC4=CC=CC=C4C(=O)O |
Product Overview
2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid (CAS 554407-97-5), with molecular formula C16H12N2O2S2 and molecular weight 328.03 g/mol. IUPAC: 2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)benzoic acid.
Chemical Property Profile of 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid
Property Insights of 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid
The XLogP value of 4.0294 indicates that 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid. Following Lipinski's Rule of Five, 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid 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 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid?
The CAS number of 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid is 554407-97-5.
What is the molecular formula of 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid?
The molecular formula of 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid is C16H12N2O2S2.
What is the molecular weight of 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid?
The molecular weight of 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid is 328.03 g/mol.
Where can I buy 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid?
You can request a quote for 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.