Citrusal
TL;DR: Citrusal (CAS 5980-07-4) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-methoxy-2-oxochromen-8-yl)-2,2-dimethylpropanal
Also Known As: Citrusal, Morphine Sulfate (anhydrous), Morphine sulphate (anhydrous), 7-Methoxy-8-(2-formyl-2-methylpropyl)coumarin, 3-(7-methoxy-2-oxochromen-8-yl)-2,2-dimethylpropanal
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.5692 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 667.3902 |
Chemical Identifiers
| CAS Number | 5980-07-4 |
|---|---|
| SMILES | CC(C)(CC1=C(C=CC2=C1OC(=O)C=C2)OC)C=O |
Product Overview
Citrusal (CAS 5980-07-4), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 3-(7-methoxy-2-oxochromen-8-yl)-2,2-dimethylpropanal.
Chemical Property Profile of Citrusal
Property Insights of Citrusal
The XLogP value of 2.5692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Citrusal. With a topological polar surface area (TPSA) of 56.51 Ų, Citrusal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citrusal has 0 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 Citrusal?
The CAS number of Citrusal is 5980-07-4.
What is the molecular formula of Citrusal?
The molecular formula of Citrusal is C15H16O4.
What is the molecular weight of Citrusal?
The molecular weight of Citrusal is 260.10 g/mol.
Where can I buy Citrusal?
You can request a quote for Citrusal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citrusal?
Yes, KEHONG BIO provides custom synthesis services for Citrusal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.