Citrinin hydrate
TL;DR: Citrinin hydrate (CAS 19441-09-9) is a chemical compound with molecular formula C13H16O6 and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,4S)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
Also Known As: Citrinin hydrate, Ctrinin hydrate, Ammonium reineckate hydrate, (1s,3r,4s)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-isochromene-7-carboxylic acid, 3,4-Dihydro-1,6,8-trihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid
| Molecular Formula | C13H16O6 |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.0947 |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 19441-09-9 |
|---|---|
| SMILES | C[C@@H]1[C@H](O[C@@H](C2=C(C(=C(C(=C12)C)O)C(=O)O)O)O)C |
| InChIKey | MBTAFMZUDOUGPS-CGKQSRJASA-N |
Product Overview
Citrinin hydrate (CAS 19441-09-9), with molecular formula C13H16O6 and molecular weight 268.09 g/mol. IUPAC: (1S,3R,4S)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid.
Chemical Property Profile of Citrinin hydrate
Property Insights of Citrinin hydrate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Citrinin hydrate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Citrinin hydrate. Following Lipinski's Rule of Five, Citrinin hydrate has 4 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 Citrinin hydrate?
The CAS number of Citrinin hydrate is 19441-09-9.
What is the molecular formula of Citrinin hydrate?
The molecular formula of Citrinin hydrate is C13H16O6.
What is the molecular weight of Citrinin hydrate?
The molecular weight of Citrinin hydrate is 268.09 g/mol.
Where can I buy Citrinin hydrate?
You can request a quote for Citrinin hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citrinin hydrate?
Yes, KEHONG BIO provides custom synthesis services for Citrinin hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.