IDI1_028042
TL;DR: IDI1_028042 (CAS 852143-30-7) is a chemical compound with molecular formula C18H16N4O3S and molecular weight 368.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: IDI1_028042, BRD-K23534454-001-01-5, F0653-0103, methyl 5-[[(5Z)-5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate, methyl 5-({[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Technical Specifications
| Molecular Formula | C18H16N4O3S |
| Molecular Weight | 368.0943 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.0943 Da |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
| SMILES | CN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3=CNC4=CC=CC=C43 |
| InChIKey | GYEPNOBNSQIHQL-UHFFFAOYSA-N |
Chemical Property Profile of IDI1_028042
Property Insights of IDI1_028042
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_028042. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_028042. Following Lipinski's Rule of Five, IDI1_028042 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of IDI1_028042?
The CAS number of IDI1_028042 is 852143-30-7.
What is the molecular formula of IDI1_028042?
The molecular formula of IDI1_028042 is C18H16N4O3S.
What is the molecular weight of IDI1_028042?
The molecular weight of IDI1_028042 is 368.0943 g/mol.
Where can I buy IDI1_028042?
You can request a quote for IDI1_028042 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IDI1_028042?
Yes, CoreyChem provides custom synthesis services for IDI1_028042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.