3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one
TL;DR: 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one (CAS 302939-96-4) is a chemical compound with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-yl)-6-hexyl-7-hydroxychromen-2-one
Also Known As: BAS 01020192, 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one, AE-848/11243637, 3-benzimidazol-2-yl-6-hexyl-7-hydroxychromen-2-one, 3-(1H-benzimidazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one
| Molecular Formula | C22H22N2O3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 5.1647 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.16306 |
| Heavy Atoms | 27 |
| Complexity | 1124.3601 |
Chemical Identifiers
| CAS Number | 302939-96-4 |
|---|---|
| SMILES | CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3)O |
Product Overview
3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one (CAS 302939-96-4), with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)-6-hexyl-7-hydroxychromen-2-one.
Chemical Property Profile of 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one
Property Insights of 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one
The XLogP value of 5.1647 indicates that 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one?
The CAS number of 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one is 302939-96-4.
What is the molecular formula of 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one?
The molecular formula of 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one is C22H22N2O3.
What is the molecular weight of 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one?
The molecular weight of 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one is 362.16 g/mol.
Where can I buy 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one?
You can request a quote for 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,3-benzodiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.