F1312-0014
TL;DR: F1312-0014 (CAS 1005056-42-7) is a chemical compound with molecular formula C28H26N2O5S and molecular weight 502.15625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-(2-methylphenyl)-4,6-dioxo-3-phenyl-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: F1312-0014, methyl 2-(4,6-dioxo-3-phenyl-2-(o-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)-4,6-dioxo-3-phenyl-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)-4,6-dioxo-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[2-(2-methylphenyl)-4,6-dioxo-3-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C28H26N2O5S |
| Molecular Weight | 502.15625 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.15625 Da |
| Heavy Atoms | 36 |
| Complexity | 878.0 |
| SMILES | CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)C6=CC=CC=C6 |
| InChIKey | SZKOLGDUOUMZTP-UHFFFAOYSA-N |
Chemical Property Profile of F1312-0014
Property Insights of F1312-0014
The XLogP value of 5.5 indicates that F1312-0014 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 F1312-0014. Following Lipinski's Rule of Five, F1312-0014 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 F1312-0014?
The CAS number of F1312-0014 is 1005056-42-7.
What is the molecular formula of F1312-0014?
The molecular formula of F1312-0014 is C28H26N2O5S.
What is the molecular weight of F1312-0014?
The molecular weight of F1312-0014 is 502.15625 g/mol.
Where can I buy F1312-0014?
You can request a quote for F1312-0014 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F1312-0014?
Yes, CoreyChem provides custom synthesis services for F1312-0014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.