F1312-0026
TL;DR: F1312-0026 (CAS 1005093-66-2) is a chemical compound with molecular formula C29H28N2O5S and molecular weight 516.1719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1312-0026, methyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C29H28N2O5S |
| Molecular Weight | 516.1719 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.1719 Da |
| Heavy Atoms | 37 |
| Complexity | 907.0 |
| SMILES | CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)ON2C6=CC=CC=C6C |
| InChIKey | GXCHQBXNZCNSIZ-UHFFFAOYSA-N |
Chemical Property Profile of F1312-0026
Property Insights of F1312-0026
The XLogP value of 5.9 indicates that F1312-0026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F1312-0026. Following Lipinski's Rule of Five, F1312-0026 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of F1312-0026?
The CAS number of F1312-0026 is 1005093-66-2.
What is the molecular formula of F1312-0026?
The molecular formula of F1312-0026 is C29H28N2O5S.
What is the molecular weight of F1312-0026?
The molecular weight of F1312-0026 is 516.1719 g/mol.
Where can I buy F1312-0026?
You can request a quote for F1312-0026 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F1312-0026?
Yes, CoreyChem provides custom synthesis services for F1312-0026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.