AO-081/14338090
TL;DR: AO-081/14338090 (CAS 459150-28-8) is a chemical compound with molecular formula C16H12Cl4N2O4 and molecular weight 435.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,8,9-tetrachloro-10,10-dimethoxy-4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: AO-081/14338090, 4,5,6,7-tetrachloro-8,8-dimethoxy-2-(pyridin-3-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 1,7,8,9-tetrachloro-10,10-dimethoxy-4-(3-pyridinyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 1,7,8,9-Tetrachloro-10,10-dimethoxy-4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, (3aR,4S,7S,7aS)-4,5,6,7-tetrachloro-8,8-dimethoxy-2-(pyridin-3-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C16H12Cl4N2O4 |
|---|---|
| Molecular Weight | 435.96 g/mol |
| LogP | 2.8479 |
| Topological Polar Surface Area | 68.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.9551 |
| Heavy Atoms | 26 |
| Complexity | 813.06555 |
Chemical Identifiers
| CAS Number | 459150-28-8 |
|---|---|
| SMILES | COC1(C2(C3C(C1(C(=C2Cl)Cl)Cl)C(=O)N(C3=O)C4=CN=CC=C4)Cl)OC |
Product Overview
AO-081/14338090 (CAS 459150-28-8), with molecular formula C16H12Cl4N2O4 and molecular weight 435.96 g/mol. IUPAC: 1,7,8,9-tetrachloro-10,10-dimethoxy-4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of AO-081/14338090
Property Insights of AO-081/14338090
The XLogP value of 2.8479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/14338090. The TPSA of 68.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/14338090. Following Lipinski's Rule of Five, AO-081/14338090 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/14338090?
The CAS number of AO-081/14338090 is 459150-28-8.
What is the molecular formula of AO-081/14338090?
The molecular formula of AO-081/14338090 is C16H12Cl4N2O4.
What is the molecular weight of AO-081/14338090?
The molecular weight of AO-081/14338090 is 435.96 g/mol.
Where can I buy AO-081/14338090?
You can request a quote for AO-081/14338090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/14338090?
Yes, KEHONG BIO provides custom synthesis services for AO-081/14338090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.