3-O-Acetylgibberellin A3
TL;DR: 3-O-Acetylgibberellin A3 (CAS 7648-02-4) is a chemical compound with molecular formula C21H24O7 and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R,9S,10R,11R,12S)-12-acetyloxy-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
Also Known As: 3-O-Acetylgibberellin A3, Gibberellic Acid Acetate, (2R,5R,9S,10R,11R,12S)-12-acetyloxy-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid, Gibb-3-ene-1,10-dicarboxylic acid, 2-(acetyloxy)-4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, (1R,2S,4bR,7R,10S,10aR)-2-(Acetyloxy)-7-hydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
| Molecular Formula | C21H24O7 |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 1.5979 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.1522 |
| Heavy Atoms | 28 |
| Complexity | 875.97986 |
Chemical Identifiers
| CAS Number | 7648-02-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=CC23[C@@H]4CC[C@]5(CC4(CC5=C)[C@H]([C@@H]2[C@]1(C(=O)O3)C)C(=O)O)O |
Product Overview
3-O-Acetylgibberellin A3 (CAS 7648-02-4), with molecular formula C21H24O7 and molecular weight 388.15 g/mol. IUPAC: (2R,5R,9S,10R,11R,12S)-12-acetyloxy-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid.
Chemical Property Profile of 3-O-Acetylgibberellin A3
Property Insights of 3-O-Acetylgibberellin A3
The XLogP value of 1.5979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-Acetylgibberellin A3. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Acetylgibberellin A3. Following Lipinski's Rule of Five, 3-O-Acetylgibberellin A3 has 2 hydrogen bond donor(s) and 6 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 3-O-Acetylgibberellin A3?
The CAS number of 3-O-Acetylgibberellin A3 is 7648-02-4.
What is the molecular formula of 3-O-Acetylgibberellin A3?
The molecular formula of 3-O-Acetylgibberellin A3 is C21H24O7.
What is the molecular weight of 3-O-Acetylgibberellin A3?
The molecular weight of 3-O-Acetylgibberellin A3 is 388.15 g/mol.
Where can I buy 3-O-Acetylgibberellin A3?
You can request a quote for 3-O-Acetylgibberellin A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Acetylgibberellin A3?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Acetylgibberellin A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.