![(4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid structure](/static/products/383/383899-65-8.png)
(4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid
TL;DR: (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid (CAS 383899-65-8) is a chemical compound with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[11-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetic acid
Also Known As: (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid, {[3-(3-methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid, 2-((4-oxo-3-(m-tolyl)-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
| Molecular Formula | C18H16N2O3S2 |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 3.42102 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.06024 |
| Heavy Atoms | 25 |
| Complexity | 1052.3912 |
Chemical Identifiers
| CAS Number | 383899-65-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCC4 |
Product Overview
(4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid (CAS 383899-65-8), with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol. IUPAC: 2-[[11-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetic acid.
Chemical Property Profile of (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid
Property Insights of (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid
The XLogP value of 3.42102 indicates that (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic 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 (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid?
The CAS number of (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid is 383899-65-8.
What is the molecular formula of (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid?
The molecular formula of (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid is C18H16N2O3S2.
What is the molecular weight of (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid?
The molecular weight of (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid is 372.06 g/mol.
Where can I buy (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid?
You can request a quote for (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3-m-tolyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.