AL-281/41529563
TL;DR: AL-281/41529563 (CAS 664992-87-4) is a chemical compound with molecular formula C27H20N2O6 and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
Also Known As: AL-281/41529563, Ethyl 4-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate, ethyl 4-(9-nitro-12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)benzoate, ethyl 4-{1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl}benzoate
| Molecular Formula | C27H20N2O6 |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | 3.6483 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.13214 |
| Heavy Atoms | 35 |
| Complexity | 1382.0939 |
Chemical Identifiers
| CAS Number | 664992-87-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)[N+](=O)[O-] |
Product Overview
AL-281/41529563 (CAS 664992-87-4), with molecular formula C27H20N2O6 and molecular weight 468.13 g/mol. IUPAC: ethyl 4-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate.
Chemical Property Profile of AL-281/41529563
Property Insights of AL-281/41529563
The XLogP value of 3.6483 indicates that AL-281/41529563 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AL-281/41529563. Following Lipinski's Rule of Five, AL-281/41529563 has 0 hydrogen bond donor(s) and 6 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 AL-281/41529563?
The CAS number of AL-281/41529563 is 664992-87-4.
What is the molecular formula of AL-281/41529563?
The molecular formula of AL-281/41529563 is C27H20N2O6.
What is the molecular weight of AL-281/41529563?
The molecular weight of AL-281/41529563 is 468.13 g/mol.
Where can I buy AL-281/41529563?
You can request a quote for AL-281/41529563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AL-281/41529563?
Yes, KEHONG BIO provides custom synthesis services for AL-281/41529563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.