Gibberellin A53 aldehyde
TL;DR: Gibberellin A53 aldehyde (CAS 85344-33-8) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3S,4R,8S,9S,12S)-2-formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
Also Known As: Gibberellin A53 aldehyde, J2.777.716C, (1S,2S,3S,4R,8S,9S,12S)-2-formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid, (7S)-10beta-Formyl-7-hydroxy-1,4aalpha-dimethyl-8-methylenegibbane-1alpha-carboxylic acid, (1S,2S,3S,4R,8S,9S,12S)-2-formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 85344-33-8 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C=O)(C)C(=O)O |
| InChIKey | DHEPJQQWDJWPJY-XQIDNCIUSA-N |
Product Overview
Gibberellin A53 aldehyde (CAS 85344-33-8), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: (1S,2S,3S,4R,8S,9S,12S)-2-formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid.
Chemical Property Profile of Gibberellin A53 aldehyde
Property Insights of Gibberellin A53 aldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gibberellin A53 aldehyde. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Gibberellin A53 aldehyde. Following Lipinski's Rule of Five, Gibberellin A53 aldehyde has 2 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 Gibberellin A53 aldehyde?
The CAS number of Gibberellin A53 aldehyde is 85344-33-8.
What is the molecular formula of Gibberellin A53 aldehyde?
The molecular formula of Gibberellin A53 aldehyde is C20H28O4.
What is the molecular weight of Gibberellin A53 aldehyde?
The molecular weight of Gibberellin A53 aldehyde is 332.20 g/mol.
Where can I buy Gibberellin A53 aldehyde?
You can request a quote for Gibberellin A53 aldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gibberellin A53 aldehyde?
Yes, KEHONG BIO provides custom synthesis services for Gibberellin A53 aldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.