IFLab1_000428
TL;DR: IFLab1_000428 (CAS 171008-76-7) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 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)-8-[(dimethylamino)methyl]-7-hydroxychromen-4-one
Also Known As: IFLab1_000428, IDI1_008647, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(dimethylamino)methyl]-7-hydroxy-4H-chromen-4-one, F3385-0058, 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-((dimethylamino)methyl)-7-hydroxy-4H-chromen-4-one
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 2.9984 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 1038.2864 |
Chemical Identifiers
| CAS Number | 171008-76-7 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)O |
Product Overview
IFLab1_000428 (CAS 171008-76-7), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(dimethylamino)methyl]-7-hydroxychromen-4-one.
Chemical Property Profile of IFLab1_000428
Property Insights of IFLab1_000428
The XLogP value of 2.9984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_000428. The TPSA of 72.14 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000428. Following Lipinski's Rule of Five, IFLab1_000428 has 1 hydrogen bond donor(s) and 6 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 IFLab1_000428?
The CAS number of IFLab1_000428 is 171008-76-7.
What is the molecular formula of IFLab1_000428?
The molecular formula of IFLab1_000428 is C20H19NO5.
What is the molecular weight of IFLab1_000428?
The molecular weight of IFLab1_000428 is 353.13 g/mol.
Where can I buy IFLab1_000428?
You can request a quote for IFLab1_000428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000428?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.