4-O-methylcryptochlorophaeic acid
TL;DR: 4-O-methylcryptochlorophaeic acid (CAS 27587-68-4) is a chemical compound with molecular formula C26H34O8 and molecular weight 474.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dimethoxy-6-pentylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid
Also Known As: 4-O-Methylcryptochlorophaeic acid, 3-(2,4-dimethoxy-6-pentylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid, Benzoic acid, 3-((2,4-dimethoxy-6-pentylbenzoyl)oxy)-2,4-dihydroxy-6-pentyl-, 3-[(2,4-Dimethoxy-6-pentylbenzoyl)oxy]-2,4-dihydroxy-6-pentylbenzoic acid, Benzoic acid,3-[(2,4-dimethoxy-6-pentylbenzoyl)oxy]-2,4-dihydroxy-6-pentyl-
| Molecular Formula | C26H34O8 |
|---|---|
| Molecular Weight | 474.23 g/mol |
| LogP | 5.4978 |
| Topological Polar Surface Area | 122.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 474.22537 |
| Heavy Atoms | 34 |
| Complexity | 1012.5907 |
Chemical Identifiers
| CAS Number | 27587-68-4 |
|---|---|
| SMILES | CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)OC)CCCCC)O |
Product Overview
4-O-methylcryptochlorophaeic acid (CAS 27587-68-4), with molecular formula C26H34O8 and molecular weight 474.23 g/mol. IUPAC: 3-(2,4-dimethoxy-6-pentylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid.
Chemical Property Profile of 4-O-methylcryptochlorophaeic acid
Property Insights of 4-O-methylcryptochlorophaeic acid
The XLogP value of 5.4978 indicates that 4-O-methylcryptochlorophaeic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-methylcryptochlorophaeic acid. Following Lipinski's Rule of Five, 4-O-methylcryptochlorophaeic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-methylcryptochlorophaeic acid?
The CAS number of 4-O-methylcryptochlorophaeic acid is 27587-68-4.
What is the molecular formula of 4-O-methylcryptochlorophaeic acid?
The molecular formula of 4-O-methylcryptochlorophaeic acid is C26H34O8.
What is the molecular weight of 4-O-methylcryptochlorophaeic acid?
The molecular weight of 4-O-methylcryptochlorophaeic acid is 474.23 g/mol.
Where can I buy 4-O-methylcryptochlorophaeic acid?
You can request a quote for 4-O-methylcryptochlorophaeic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-methylcryptochlorophaeic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-O-methylcryptochlorophaeic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.