ChemDiv1_020586
TL;DR: ChemDiv1_020586 (CAS 330839-19-5) is a chemical compound with molecular formula C28H23NO3 and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(3-acetylphenyl)-1,8-dimethyl-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: ChemDiv1_020586, BIM-0000238.P001, A1909/0080219, 17-(3-acetylphenyl)-1,8-dimethyl-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, (9s,10s)-13-(3-acetylphenyl)-9,10-dimethyl-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
| Molecular Formula | C28H23NO3 |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | 4.634 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.1678 |
| Heavy Atoms | 32 |
| Complexity | 1232.5433 |
Chemical Identifiers
| CAS Number | 330839-19-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C |
Product Overview
ChemDiv1_020586 (CAS 330839-19-5), with molecular formula C28H23NO3 and molecular weight 421.17 g/mol. IUPAC: 17-(3-acetylphenyl)-1,8-dimethyl-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 ChemDiv1_020586
Property Insights of ChemDiv1_020586
The XLogP value of 4.634 indicates that ChemDiv1_020586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, ChemDiv1_020586 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_020586 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 ChemDiv1_020586?
The CAS number of ChemDiv1_020586 is 330839-19-5.
What is the molecular formula of ChemDiv1_020586?
The molecular formula of ChemDiv1_020586 is C28H23NO3.
What is the molecular weight of ChemDiv1_020586?
The molecular weight of ChemDiv1_020586 is 421.17 g/mol.
Where can I buy ChemDiv1_020586?
You can request a quote for ChemDiv1_020586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020586?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.