IBS_STOCK1N-40851
TL;DR: IBS_STOCK1N-40851 (CAS 610753-62-3) is a chemical compound with molecular formula C26H19NO8 and molecular weight 473.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl] 3-nitrobenzoate
Also Known As: IBS_STOCK1N-40851, 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate, F3139-1108, [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl] 3-nitrobenzoate, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate
| Molecular Formula | C26H19NO8 |
|---|---|
| Molecular Weight | 473.11 g/mol |
| LogP | 4.921 |
| Topological Polar Surface Area | 118.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.11105 |
| Heavy Atoms | 35 |
| Complexity | 1538.6556 |
Chemical Identifiers
| CAS Number | 610753-62-3 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC=C(C2=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
IBS_STOCK1N-40851 (CAS 610753-62-3), with molecular formula C26H19NO8 and molecular weight 473.11 g/mol. IUPAC: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl] 3-nitrobenzoate.
Chemical Property Profile of IBS_STOCK1N-40851
Property Insights of IBS_STOCK1N-40851
The XLogP value of 4.921 indicates that IBS_STOCK1N-40851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.11 Ų falls within the moderate polarity range, balancing permeability and solubility for IBS_STOCK1N-40851. Following Lipinski's Rule of Five, IBS_STOCK1N-40851 has 0 hydrogen bond donor(s) and 8 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 IBS_STOCK1N-40851?
The CAS number of IBS_STOCK1N-40851 is 610753-62-3.
What is the molecular formula of IBS_STOCK1N-40851?
The molecular formula of IBS_STOCK1N-40851 is C26H19NO8.
What is the molecular weight of IBS_STOCK1N-40851?
The molecular weight of IBS_STOCK1N-40851 is 473.11 g/mol.
Where can I buy IBS_STOCK1N-40851?
You can request a quote for IBS_STOCK1N-40851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IBS_STOCK1N-40851?
Yes, KEHONG BIO provides custom synthesis services for IBS_STOCK1N-40851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.