3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one
TL;DR: 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one (CAS 637747-64-9) is a chemical compound with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
Also Known As: 3-(benzo[d]thiazol-2-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one, 3-benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one, 3-benzothiazol-2-yl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one, 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
| Molecular Formula | C21H18N2O3S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 4.3711 |
| Topological Polar Surface Area | 66.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.10382 |
| Heavy Atoms | 27 |
| Complexity | 1172.2238 |
Chemical Identifiers
| CAS Number | 637747-64-9 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O |
Product Overview
3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one (CAS 637747-64-9), with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one.
Chemical Property Profile of 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one
Property Insights of 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one
The XLogP value of 4.3711 indicates that 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)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-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one. Following Lipinski's Rule of Five, 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)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-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one?
The CAS number of 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one is 637747-64-9.
What is the molecular formula of 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one?
The molecular formula of 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one is C21H18N2O3S.
What is the molecular weight of 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one?
The molecular weight of 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one is 378.10 g/mol.
Where can I buy 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one?
You can request a quote for 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)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-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-yl-7-hydroxy-8-(pyrrolidinylmethyl)chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.