![3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one structure](/static/products/799/799772-86-4.png)
3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one
TL;DR: 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one (CAS 799772-86-4) is a chemical compound with molecular formula C23H22N2O3S and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
Also Known As: 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one, F3228-0106, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-4H-chromen-4-one, 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one
| Molecular Formula | C23H22N2O3S |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 4.9335 |
| Topological Polar Surface Area | 66.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.1351 |
| Heavy Atoms | 29 |
| Complexity | 1235.5792 |
Chemical Identifiers
| CAS Number | 799772-86-4 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCCC3)OC=C(C2=O)C4=NC5=CC=CC=C5S4 |
Product Overview
3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one (CAS 799772-86-4), with molecular formula C23H22N2O3S and molecular weight 406.14 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one.
Chemical Property Profile of 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one
Property Insights of 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one
The XLogP value of 4.9335 indicates that 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one 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 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one. Following Lipinski's Rule of Five, 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one 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 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one?
The CAS number of 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one is 799772-86-4.
What is the molecular formula of 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one?
The molecular formula of 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one is C23H22N2O3S.
What is the molecular weight of 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one?
The molecular weight of 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one is 406.14 g/mol.
Where can I buy 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one?
You can request a quote for 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.