Acetylpterosin C
TL;DR: Acetylpterosin C (CAS 39765-77-0) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,2R)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethyl acetate
Also Known As: Acetylpterosin C, 2S,3S-Aceteylpterosin C, 1H-Inden-1-one, 6-(2-(acetyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-, trans-(+)-, 1h-inden-1-one,6-(2-(acetyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-,trans-(+)-, 2-(1-hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl acetate
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 39765-77-0 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2=C(C1=O)C(=C(C(=C2)C)CCOC(=O)C)C)O |
| InChIKey | KBPAOKSMUDDOIN-MEBBXXQBSA-N |
Product Overview
Acetylpterosin C (CAS 39765-77-0), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: 2-[(1R,2R)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethyl acetate.
Chemical Property Profile of Acetylpterosin C
Property Insights of Acetylpterosin C
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylpterosin C. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylpterosin C. Following Lipinski's Rule of Five, Acetylpterosin C 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 Acetylpterosin C?
The CAS number of Acetylpterosin C is 39765-77-0.
What is the molecular formula of Acetylpterosin C?
The molecular formula of Acetylpterosin C is C16H20O4.
What is the molecular weight of Acetylpterosin C?
The molecular weight of Acetylpterosin C is 276.14 g/mol.
Where can I buy Acetylpterosin C?
You can request a quote for Acetylpterosin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylpterosin C?
Yes, KEHONG BIO provides custom synthesis services for Acetylpterosin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.