F1601-0377
TL;DR: F1601-0377 (CAS 1007982-11-7) is a chemical compound with molecular formula C21H21ClN2O3S and molecular weight 416.09613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-chloro-9-methyl-10-(3-methylphenyl)-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate
Also Known As: F1601-0377, ethyl 8-chloro-2-methyl-3-(3-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate, ethyl 4-chloro-9-methyl-10-(3-methylphenyl)-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-13-carboxylate, ethyl 4-chloro-9-methyl-10-(3-methylphenyl)-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate, ethyl 4-chloro-9-methyl-11-thioxo-10-(m-tolyl)-8-oxa-10,12-diazatricyclo[7.3.1.0(2),]trideca-2,4,6-triene-13-carboxylate
Technical Specifications
| Molecular Formula | C21H21ClN2O3S |
| Molecular Weight | 416.09613 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.09613 Da |
| Heavy Atoms | 28 |
| Complexity | 635.0 |
| SMILES | CCOC(=O)C1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)C4=CC=CC(=C4)C)C |
| InChIKey | SEYRMKQUGLKBGE-UHFFFAOYSA-N |
Chemical Property Profile of F1601-0377
Property Insights of F1601-0377
The XLogP value of 4.3 indicates that F1601-0377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0377. Following Lipinski's Rule of Five, F1601-0377 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of F1601-0377?
The CAS number of F1601-0377 is 1007982-11-7.
What is the molecular formula of F1601-0377?
The molecular formula of F1601-0377 is C21H21ClN2O3S.
What is the molecular weight of F1601-0377?
The molecular weight of F1601-0377 is 416.09613 g/mol.
Where can I buy F1601-0377?
You can request a quote for F1601-0377 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F1601-0377?
Yes, CoreyChem provides custom synthesis services for F1601-0377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.