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6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one
TL;DR: 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one (CAS 5823-30-3) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-methylphenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: ChemDiv1_004355, BAS 01533266, 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one, AE-848/37296001, 2-(2-methylphenyl)-6,7-dihydro-4H,5H-cyclopenta[4,5]thieno[2,3-d][1,3]oxazin-4-one
| Molecular Formula | C16H13NO2S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 3.71362 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.0667 |
| Heavy Atoms | 20 |
| Complexity | 875.8045 |
Chemical Identifiers
| CAS Number | 5823-30-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC3=C(C4=C(S3)CCC4)C(=O)O2 |
Product Overview
6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one (CAS 5823-30-3), with molecular formula C16H13NO2S and molecular weight 283.07 g/mol. IUPAC: 10-(2-methylphenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one
Property Insights of 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one
The XLogP value of 3.71362 indicates that 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-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 43.1 Ų, 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one has 0 hydrogen bond donor(s) and 4 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-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one?
The CAS number of 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one is 5823-30-3.
What is the molecular formula of 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one?
The molecular formula of 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one is C16H13NO2S.
What is the molecular weight of 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one?
The molecular weight of 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one is 283.07 g/mol.
Where can I buy 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one?
You can request a quote for 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-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-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-o-Tolyl-2,3-dihydro-1H-5-oxa-8-thia-7-aza-cyclopenta[a]inden-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.