4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid
TL;DR: 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid (CAS 22531-86-8) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,2,6,7,8,8a-hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid
Also Known As: 4-(1,2,6,7,8,8a-hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 22531-86-8 |
|---|---|
| SMILES | C1CC2CCC3=C2C(=C(C=C3)C(=O)CCC(=O)O)C1 |
| InChIKey | IALIBZSTXPKNHT-UHFFFAOYSA-N |
Product Overview
4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid (CAS 22531-86-8), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 4-(1,2,6,7,8,8a-hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid
Property Insights of 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 3 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-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid?
The CAS number of 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid is 22531-86-8.
What is the molecular formula of 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid?
The molecular formula of 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid is C16H18O3.
What is the molecular weight of 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid?
The molecular weight of 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid is 258.13 g/mol.
Where can I buy 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid?
You can request a quote for 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,2,6,7,8,8a-Hexahydroacenaphthylen-5-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.