Hypoprotocetraric acid
TL;DR: Hypoprotocetraric acid (CAS 4665-02-5) is a chemical compound with molecular formula C18H16O7 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dihydroxy-1,4,7,10-tetramethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
Also Known As: Hypoprotocetraric acid, Coquimboic acid, Spectrum5_001851, KBio2_005898, KBio2_000762
| Molecular Formula | C18H16O7 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.0896 |
| Heavy Atoms | 25 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 4665-02-5 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C)C)O |
| InChIKey | CFPLLTGKDKZLIH-UHFFFAOYSA-N |
Product Overview
Hypoprotocetraric acid (CAS 4665-02-5), with molecular formula C18H16O7 and molecular weight 344.09 g/mol. IUPAC: 3,9-dihydroxy-1,4,7,10-tetramethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid.
Chemical Property Profile of Hypoprotocetraric acid
Property Insights of Hypoprotocetraric acid
The XLogP value of 3.8 indicates that Hypoprotocetraric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hypoprotocetraric acid. Following Lipinski's Rule of Five, Hypoprotocetraric acid has 3 hydrogen bond donor(s) and 7 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 Hypoprotocetraric acid?
The CAS number of Hypoprotocetraric acid is 4665-02-5.
What is the molecular formula of Hypoprotocetraric acid?
The molecular formula of Hypoprotocetraric acid is C18H16O7.
What is the molecular weight of Hypoprotocetraric acid?
The molecular weight of Hypoprotocetraric acid is 344.09 g/mol.
Where can I buy Hypoprotocetraric acid?
You can request a quote for Hypoprotocetraric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hypoprotocetraric acid?
Yes, KEHONG BIO provides custom synthesis services for Hypoprotocetraric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.