AO-081/40801125
TL;DR: AO-081/40801125 (CAS 461647-31-4) is a chemical compound with molecular formula C25H17ClFNO2 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-chloro-3-fluorophenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: AO-081/40801125, 13-(4-chloro-3-fluorophenyl)-9-methyl-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione, 17-(4-chloro-3-fluorophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione, 17-(4-Chloro-3-fluorophenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C25H17ClFNO2 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 5.0498 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.09317 |
| Heavy Atoms | 30 |
| Complexity | 1222.0084 |
Chemical Identifiers
| CAS Number | 461647-31-4 |
|---|---|
| SMILES | CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)F |
Product Overview
AO-081/40801125 (CAS 461647-31-4), with molecular formula C25H17ClFNO2 and molecular weight 417.09 g/mol. IUPAC: 17-(4-chloro-3-fluorophenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of AO-081/40801125
Property Insights of AO-081/40801125
The XLogP value of 5.0498 indicates that AO-081/40801125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, AO-081/40801125 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40801125 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40801125?
The CAS number of AO-081/40801125 is 461647-31-4.
What is the molecular formula of AO-081/40801125?
The molecular formula of AO-081/40801125 is C25H17ClFNO2.
What is the molecular weight of AO-081/40801125?
The molecular weight of AO-081/40801125 is 417.09 g/mol.
Where can I buy AO-081/40801125?
You can request a quote for AO-081/40801125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40801125?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40801125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.