VU0509313-1
TL;DR: VU0509313-1 (CAS 1212216-00-6) is a chemical compound with molecular formula C17H18N2O5S2 and molecular weight 394.0657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(9,9-dimethyl-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)acetic acid
Also Known As: VU0509313-1, F3109-0185, 2-{9,9-dimethyl-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}acetic acid, 2-((5aR,8aR,9aS)-10,10-dimethyl-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)acetic acid, 2-(3,3-dimethyl-6,13,15-trioxo-5,9-dithia-7,14-diazapentacyclo[9.5.1.0<2,10>.0 <4,8>.0<12,16>]heptadec-4(8)-en-14-yl)acetic acid
Technical Specifications
| Molecular Formula | C17H18N2O5S2 |
| Molecular Weight | 394.0657 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.0657 Da |
| Heavy Atoms | 26 |
| Complexity | 822.0 |
| SMILES | CC1(C2C3CC(C2SC4=C1SC(=O)N4)C5C3C(=O)N(C5=O)CC(=O)O)C |
| InChIKey | YIDWLDAIDQKPFL-UHFFFAOYSA-N |
Chemical Property Profile of VU0509313-1
Property Insights of VU0509313-1
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0509313-1. The TPSA of 154.0 Ų indicates high polarity, suggesting VU0509313-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VU0509313-1 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 VU0509313-1?
The CAS number of VU0509313-1 is 1212216-00-6.
What is the molecular formula of VU0509313-1?
The molecular formula of VU0509313-1 is C17H18N2O5S2.
What is the molecular weight of VU0509313-1?
The molecular weight of VU0509313-1 is 394.0657 g/mol.
Where can I buy VU0509313-1?
You can request a quote for VU0509313-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for VU0509313-1?
Yes, CoreyChem provides custom synthesis services for VU0509313-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.