F1312-0026
TL;DR: F1312-0026 (CAS 1005093-66-2) is a chemical compound with molecular formula C29H28N2O5S and molecular weight 516.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C29H28N2O5S |
|---|---|
| Molecular Weight | 516.17 g/mol |
| LogP | 5.08144 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.1719 |
| Heavy Atoms | 37 |
| Complexity | 1412.1503 |
Chemical Identifiers
| CAS Number | 1005093-66-2 |
|---|---|
| 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 |
Product Overview
F1312-0026 (CAS 1005093-66-2), with molecular formula C29H28N2O5S and molecular weight 516.17 g/mol. IUPAC: 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.
Chemical Property Profile of F1312-0026
Property Insights of F1312-0026
The XLogP value of 5.08144 indicates that F1312-0026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 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
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 516.17 g/mol.
Where can I buy F1312-0026?
You can request a quote for F1312-0026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1312-0026?
Yes, KEHONG BIO provides custom synthesis services for F1312-0026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.