ChemDiv1_001746
TL;DR: ChemDiv1_001746 (CAS 353791-40-9) is a chemical compound with molecular formula C26H24BrNO and molecular weight 445.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-bromophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaen-10-yl]ethanone
Also Known As: ChemDiv1_001746, BAS 00714802, 1-(7-(4-bromophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[4,5]pyrido[3,2,1-ij]cyclopenta[c]quinolin-2-yl)ethanone, 1-[7-(4-BROMOPHENYL)-3B,6,6A,7,9,9A,10,12A-OCTAHYDROCYCLOPENTA[C]CYCLOPENTA[4,5]PYRIDO[3,2,1-IJ]QUINOLIN-2-YL]-1-ETHANONE, 1-[7-(4-bromophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl]ethanone
| Molecular Formula | C26H24BrNO |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 6.546 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 445.10413 |
| Heavy Atoms | 29 |
| Complexity | 1049.6111 |
Chemical Identifiers
| CAS Number | 353791-40-9 |
|---|---|
| SMILES | CC(=O)C1=CC2=C3C(=C1)C4C=CCC4C(N3CC5C2C=CC5)C6=CC=C(C=C6)Br |
Product Overview
ChemDiv1_001746 (CAS 353791-40-9), with molecular formula C26H24BrNO and molecular weight 445.10 g/mol. IUPAC: 1-[2-(4-bromophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaen-10-yl]ethanone.
Chemical Property Profile of ChemDiv1_001746
Property Insights of ChemDiv1_001746
The XLogP value of 6.546 indicates that ChemDiv1_001746 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, ChemDiv1_001746 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_001746 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 ChemDiv1_001746?
The CAS number of ChemDiv1_001746 is 353791-40-9.
What is the molecular formula of ChemDiv1_001746?
The molecular formula of ChemDiv1_001746 is C26H24BrNO.
What is the molecular weight of ChemDiv1_001746?
The molecular weight of ChemDiv1_001746 is 445.10 g/mol.
Where can I buy ChemDiv1_001746?
You can request a quote for ChemDiv1_001746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001746?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.