ChemDiv1_022442
TL;DR: ChemDiv1_022442 (CAS 389126-91-4) is a chemical compound with molecular formula C26H19ClN2O3 and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]acetamide
Also Known As: ChemDiv1_022442, BAS 01290999, BIM-0009920.P001, F0850-3741, N-(2-chloro-4-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}phenyl)acetamide
| Molecular Formula | C26H19ClN2O3 |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 4.695 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.10843 |
| Heavy Atoms | 32 |
| Complexity | 1218.6522 |
Chemical Identifiers
| CAS Number | 389126-91-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)Cl |
Product Overview
ChemDiv1_022442 (CAS 389126-91-4), with molecular formula C26H19ClN2O3 and molecular weight 442.11 g/mol. IUPAC: N-[2-chloro-4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]acetamide.
Chemical Property Profile of ChemDiv1_022442
Property Insights of ChemDiv1_022442
The XLogP value of 4.695 indicates that ChemDiv1_022442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022442. Following Lipinski's Rule of Five, ChemDiv1_022442 has 1 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_022442?
The CAS number of ChemDiv1_022442 is 389126-91-4.
What is the molecular formula of ChemDiv1_022442?
The molecular formula of ChemDiv1_022442 is C26H19ClN2O3.
What is the molecular weight of ChemDiv1_022442?
The molecular weight of ChemDiv1_022442 is 442.11 g/mol.
Where can I buy ChemDiv1_022442?
You can request a quote for ChemDiv1_022442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022442?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.