A4005/0170752
TL;DR: A4005/0170752 (CAS 862661-90-3) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-oxoacetate
Also Known As: A4005/0170752, ethyl (8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)(oxo)acetate, 1H-Pyrazino[3,2,1-jk]carbazole-3-acetic acid, 2,3,3a,4,5,6-hexahydro-8-methyl-.alpha.-oxo-, ethyl ester, ethyl 2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-oxoacetate, ethyl 2-(8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)-2-oxoacetate
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 2.73242 |
| Topological Polar Surface Area | 51.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 836.73975 |
Chemical Identifiers
| CAS Number | 862661-90-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)N1CCN2C3=C(C=C(C=C3)C)C4=C2C1CCC4 |
Product Overview
A4005/0170752 (CAS 862661-90-3), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: ethyl 2-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-oxoacetate.
Chemical Property Profile of A4005/0170752
Property Insights of A4005/0170752
The XLogP value of 2.73242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4005/0170752. With a topological polar surface area (TPSA) of 51.54 Ų, A4005/0170752 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4005/0170752 has 0 hydrogen bond donor(s) and 3 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 A4005/0170752?
The CAS number of A4005/0170752 is 862661-90-3.
What is the molecular formula of A4005/0170752?
The molecular formula of A4005/0170752 is C19H22N2O3.
What is the molecular weight of A4005/0170752?
The molecular weight of A4005/0170752 is 326.16 g/mol.
Where can I buy A4005/0170752?
You can request a quote for A4005/0170752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4005/0170752?
Yes, KEHONG BIO provides custom synthesis services for A4005/0170752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.