ChemDiv1_019264
TL;DR: ChemDiv1_019264 (CAS 346665-98-3) is a chemical compound with molecular formula C31H29NO5 and molecular weight 495.20 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)ethyl 4-butoxybenzoate
Also Known As: ChemDiv1_019264, F0451-0876, 2-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}ethyl 4-butoxybenzoate, 2-(1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1',2']-benzeno-2H-benz[f]isoindol-2-yl)ethyl 4-butoxybenzoate, 2-((11S,15R)-12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)ethyl 4-butoxybenzoate
| Molecular Formula | C31H29NO5 |
|---|---|
| Molecular Weight | 495.20 g/mol |
| LogP | 4.9145 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.20456 |
| Heavy Atoms | 37 |
| Complexity | 1248.5211 |
Chemical Identifiers
| CAS Number | 346665-98-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCCN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 |
Product Overview
ChemDiv1_019264 (CAS 346665-98-3), with molecular formula C31H29NO5 and molecular weight 495.20 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)ethyl 4-butoxybenzoate.
Chemical Property Profile of ChemDiv1_019264
Property Insights of ChemDiv1_019264
The XLogP value of 4.9145 indicates that ChemDiv1_019264 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019264. Following Lipinski's Rule of Five, ChemDiv1_019264 has 0 hydrogen bond donor(s) and 5 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_019264?
The CAS number of ChemDiv1_019264 is 346665-98-3.
What is the molecular formula of ChemDiv1_019264?
The molecular formula of ChemDiv1_019264 is C31H29NO5.
What is the molecular weight of ChemDiv1_019264?
The molecular weight of ChemDiv1_019264 is 495.20 g/mol.
Where can I buy ChemDiv1_019264?
You can request a quote for ChemDiv1_019264 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019264?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019264 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.