ChemDiv1_023831
TL;DR: ChemDiv1_023831 (CAS 473801-19-3) is a chemical compound with molecular formula C31H30N2O3 and molecular weight 478.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(2-methylphenyl)hexanamide
Also Known As: ChemDiv1_023831, BAS 02800563, 2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)-N-(o-tolyl)hexanamide, 2-(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)-N-(2-methylphenyl)hexanamide, 2-(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)-N-(2-methylphenyl)hexanamide
| Molecular Formula | C31H30N2O3 |
|---|---|
| Molecular Weight | 478.23 g/mol |
| LogP | 5.38452 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.22565 |
| Heavy Atoms | 36 |
| Complexity | 1263.9934 |
Chemical Identifiers
| CAS Number | 473801-19-3 |
|---|---|
| SMILES | CCCCC(C(=O)NC1=CC=CC=C1C)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 |
Product Overview
ChemDiv1_023831 (CAS 473801-19-3), with molecular formula C31H30N2O3 and molecular weight 478.23 g/mol. IUPAC: 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(2-methylphenyl)hexanamide.
Chemical Property Profile of ChemDiv1_023831
Property Insights of ChemDiv1_023831
The XLogP value of 5.38452 indicates that ChemDiv1_023831 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_023831. Following Lipinski's Rule of Five, ChemDiv1_023831 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023831?
The CAS number of ChemDiv1_023831 is 473801-19-3.
What is the molecular formula of ChemDiv1_023831?
The molecular formula of ChemDiv1_023831 is C31H30N2O3.
What is the molecular weight of ChemDiv1_023831?
The molecular weight of ChemDiv1_023831 is 478.23 g/mol.
Where can I buy ChemDiv1_023831?
You can request a quote for ChemDiv1_023831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023831?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.