ZERO/005250
TL;DR: ZERO/005250 (CAS 1005150-92-4) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(dimethylamino)phenyl]methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: ZERO/005250, BAS 08812311, 2-(4-(dimethylamino)benzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 2-[4-(dimethylamino)benzyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-[[4-(dimethylamino)phenyl]methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Technical Specifications
| Molecular Formula | C18H20N2O4 |
| Molecular Weight | 328.1423 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.1423 Da |
| Heavy Atoms | 24 |
| Complexity | 582.0 |
| SMILES | CN(C)C1=CC=C(C=C1)CN2CC34C=CC(O3)C(C4C2=O)C(=O)O |
| InChIKey | WBLRWQFVVHCCLM-UHFFFAOYSA-N |
Chemical Property Profile of ZERO/005250
Property Insights of ZERO/005250
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/005250. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/005250. Following Lipinski's Rule of Five, ZERO/005250 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ZERO/005250?
The CAS number of ZERO/005250 is 1005150-92-4.
What is the molecular formula of ZERO/005250?
The molecular formula of ZERO/005250 is C18H20N2O4.
What is the molecular weight of ZERO/005250?
The molecular weight of ZERO/005250 is 328.1423 g/mol.
Where can I buy ZERO/005250?
You can request a quote for ZERO/005250 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ZERO/005250?
Yes, CoreyChem provides custom synthesis services for ZERO/005250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.