ChemDiv2_003561
TL;DR: ChemDiv2_003561 (CAS 222716-30-5) is a chemical compound with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-8-(diethylaminomethyl)-6-ethyl-7-hydroxychromen-4-one
Also Known As: ChemDiv2_003561, IDI1_002276, 3-(1,3-benzothiazol-2-yl)-8-[(diethylamino)methyl]-6-ethyl-7-hydroxy-4H-chromen-4-one, F0308-0828, 3-(benzo[d]thiazol-2-yl)-8-((diethylamino)methyl)-6-ethyl-7-hydroxy-4H-chromen-4-one
| Molecular Formula | C23H24N2O3S |
|---|---|
| Molecular Weight | 408.15 g/mol |
| LogP | 5.1795 |
| Topological Polar Surface Area | 66.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.15076 |
| Heavy Atoms | 29 |
| Complexity | 1205.313 |
Chemical Identifiers
| CAS Number | 222716-30-5 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN(CC)CC)OC=C(C2=O)C3=NC4=CC=CC=C4S3 |
Product Overview
ChemDiv2_003561 (CAS 222716-30-5), with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-8-(diethylaminomethyl)-6-ethyl-7-hydroxychromen-4-one.
Chemical Property Profile of ChemDiv2_003561
Property Insights of ChemDiv2_003561
The XLogP value of 5.1795 indicates that ChemDiv2_003561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003561. Following Lipinski's Rule of Five, ChemDiv2_003561 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_003561?
The CAS number of ChemDiv2_003561 is 222716-30-5.
What is the molecular formula of ChemDiv2_003561?
The molecular formula of ChemDiv2_003561 is C23H24N2O3S.
What is the molecular weight of ChemDiv2_003561?
The molecular weight of ChemDiv2_003561 is 408.15 g/mol.
Where can I buy ChemDiv2_003561?
You can request a quote for ChemDiv2_003561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003561?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.