4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride
TL;DR: 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride (CAS 78776-54-2) is a chemical compound with molecular formula C17H13ClO6 and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-2-(4-methoxyphenyl)chromenylium-4-carboxylic acid chloride
Also Known As: Wy 44221, 4-carboxy-5,7-dihydroxy-2-1-benzopyryliumchloride, 4-Carboxy-5,7-dihydroxy-2- -1-benzopyryliumchloride, 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride, 1-Benzopyrylium, 4-carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-, chloride
| Molecular Formula | C17H13ClO6 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 0.5029 |
| Topological Polar Surface Area | 98.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.04007 |
| Heavy Atoms | 24 |
| Complexity | 905.09296 |
Chemical Identifiers
| CAS Number | 78776-54-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=[O+]C3=CC(=CC(=C3C(=C2)C(=O)O)O)O.[Cl-] |
Product Overview
4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride (CAS 78776-54-2), with molecular formula C17H13ClO6 and molecular weight 348.04 g/mol. IUPAC: 5,7-dihydroxy-2-(4-methoxyphenyl)chromenylium-4-carboxylic acid chloride.
Chemical Property Profile of 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride
Property Insights of 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride
The XLogP value of 0.5029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride. The TPSA of 98.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride. Following Lipinski's Rule of Five, 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride has 3 hydrogen bond donor(s) and 4 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 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride?
The CAS number of 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride is 78776-54-2.
What is the molecular formula of 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride?
The molecular formula of 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride is C17H13ClO6.
What is the molecular weight of 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride?
The molecular weight of 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride is 348.04 g/mol.
Where can I buy 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride?
You can request a quote for 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxy-5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.