AO-022/42134603
TL;DR: AO-022/42134603 (CAS 1008953-05-6) is a chemical compound with molecular formula C19H15BrN4O2 and molecular weight 410.03784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(4-bromophenyl)-12-imino-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile
Also Known As: AO-022/42134603, 9-(4-bromophenyl)-12-imino-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile, 2-(4-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile, 9-(4-bromophenyl)-12-imino-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile, 2-(4-bromophenyl)-10-iminotetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile
Technical Specifications
| Molecular Formula | C19H15BrN4O2 |
| Molecular Weight | 410.03784 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 410.03784 Da |
| Heavy Atoms | 26 |
| Complexity | 776.0 |
| SMILES | C1CCC23C(C1)C(C(=N)O2)(C(C(O3)C4=CC=C(C=C4)Br)(C#N)C#N)C#N |
| InChIKey | VEYNZJYRKHQYSN-UHFFFAOYSA-N |
Chemical Property Profile of AO-022/42134603
Property Insights of AO-022/42134603
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/42134603. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42134603. Following Lipinski's Rule of Five, AO-022/42134603 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AO-022/42134603?
The CAS number of AO-022/42134603 is 1008953-05-6.
What is the molecular formula of AO-022/42134603?
The molecular formula of AO-022/42134603 is C19H15BrN4O2.
What is the molecular weight of AO-022/42134603?
The molecular weight of AO-022/42134603 is 410.03784 g/mol.
Where can I buy AO-022/42134603?
You can request a quote for AO-022/42134603 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AO-022/42134603?
Yes, CoreyChem provides custom synthesis services for AO-022/42134603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.