3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one
TL;DR: 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one (CAS 58629-13-3) is a chemical compound with molecular formula C16H9NO3S and molecular weight 295.03 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-hydroxychromen-4-one
Also Known As: IFLab1_001153, BAS 01057693, 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4H-chromen-4-one, 3-(1,3-benzothiazol-2-yl)-7-hydroxychromen-4-one, IDI1_009020
| Molecular Formula | C16H9NO3S |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 3.7753 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0303 |
| Heavy Atoms | 21 |
| Complexity | 999.4896 |
Chemical Identifiers
| CAS Number | 58629-13-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=COC4=C(C3=O)C=CC(=C4)O |
Product Overview
3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one (CAS 58629-13-3), with molecular formula C16H9NO3S and molecular weight 295.03 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-hydroxychromen-4-one.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one
Property Insights of 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one
The XLogP value of 3.7753 indicates that 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one has 1 hydrogen bond donor(s) and 5 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-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one is 58629-13-3.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one is C16H9NO3S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one is 295.03 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-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-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-7-hydroxychromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.