AB00675750-01
TL;DR: AB00675750-01 (CAS 1024713-92-5) is a chemical compound with molecular formula C23H22N2O5S2 and molecular weight 470.09702 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[9-(4-methylphenyl)-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]propanoic acid
Also Known As: AB00675750-01, F1734-0091, 2-[9-(4-methylphenyl)-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]propanoic acid, 2-[9-(4-Methylphenyl)-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]propanoic acid, 2-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(p-tolyl)-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)propanoic acid
Technical Specifications
| Molecular Formula | C23H22N2O5S2 |
| Molecular Weight | 470.09702 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.09702 Da |
| Heavy Atoms | 32 |
| Complexity | 958.0 |
| SMILES | CC1=CC=C(C=C1)C2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)C(C)C(=O)O |
| InChIKey | PNJWLTBJBFDYNO-UHFFFAOYSA-N |
Chemical Property Profile of AB00675750-01
Property Insights of AB00675750-01
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00675750-01. The TPSA of 154.0 Ų indicates high polarity, suggesting AB00675750-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00675750-01 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00675750-01?
The CAS number of AB00675750-01 is 1024713-92-5.
What is the molecular formula of AB00675750-01?
The molecular formula of AB00675750-01 is C23H22N2O5S2.
What is the molecular weight of AB00675750-01?
The molecular weight of AB00675750-01 is 470.09702 g/mol.
Where can I buy AB00675750-01?
You can request a quote for AB00675750-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00675750-01?
Yes, CoreyChem provides custom synthesis services for AB00675750-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.