Aspterric acid
TL;DR: Aspterric acid (CAS 67309-95-9) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8R,9R)-4-propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid
Also Known As: Aspterric acid, 2-(4-methylphenyl)sulfonyl-5-nitrofuran, (5S,8R,9R)-4-Propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid, (5S,8R,9R)-4-(propan-2-ylidene)-10-oxatricyclo[7.2.1.0?,?]dodecane-8-carboperoxoic acid, (5S,8R,9R)-4-isopropylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 67309-95-9 |
|---|---|
| SMILES | CC(=C1CCC23[C@H]1CC[C@H]([C@@H](C2)OC3)C(=O)OO)C |
| InChIKey | AMVWWAIZPPESMM-WORDMNGFSA-N |
Product Overview
Aspterric acid (CAS 67309-95-9), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (5S,8R,9R)-4-propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid.
Chemical Property Profile of Aspterric acid
Property Insights of Aspterric acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspterric acid. With a topological polar surface area (TPSA) of 55.8 Ų, Aspterric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aspterric acid has 1 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 Aspterric acid?
The CAS number of Aspterric acid is 67309-95-9.
What is the molecular formula of Aspterric acid?
The molecular formula of Aspterric acid is C15H22O4.
What is the molecular weight of Aspterric acid?
The molecular weight of Aspterric acid is 266.15 g/mol.
Where can I buy Aspterric acid?
You can request a quote for Aspterric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspterric acid?
Yes, KEHONG BIO provides custom synthesis services for Aspterric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.