AB00675748-01
TL;DR: AB00675748-01 (CAS 1177818-32-4) is a chemical compound with molecular formula C23H21FN2O5S2 and molecular weight 488.0876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[9-(4-fluorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]butanoic acid
Also Known As: AB00675748-01, 4-((4aR,5R,5aR,8aR,9S)-10-(4-fluorophenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid, F1734-0080, 4-[9-(4-fluorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]butanoic acid, 4-[10-(4-fluorophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]butanoic acid
Technical Specifications
| Molecular Formula | C23H21FN2O5S2 |
| Molecular Weight | 488.0876 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.0876 Da |
| Heavy Atoms | 33 |
| Complexity | 964.0 |
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)SC5=C(C3C6=CC=C(C=C6)F)SC(=O)N5 |
| InChIKey | PTVVBLNROMZEGB-UHFFFAOYSA-N |
Chemical Property Profile of AB00675748-01
Property Insights of AB00675748-01
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00675748-01. The TPSA of 154.0 Ų indicates high polarity, suggesting AB00675748-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00675748-01 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00675748-01?
The CAS number of AB00675748-01 is 1177818-32-4.
What is the molecular formula of AB00675748-01?
The molecular formula of AB00675748-01 is C23H21FN2O5S2.
What is the molecular weight of AB00675748-01?
The molecular weight of AB00675748-01 is 488.0876 g/mol.
Where can I buy AB00675748-01?
You can request a quote for AB00675748-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00675748-01?
Yes, CoreyChem provides custom synthesis services for AB00675748-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.