Centapicrin
TL;DR: Centapicrin (CAS 59193-73-6) is a chemical compound with molecular formula C25H28O12 and molecular weight 520.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxyoxan-2-yl]methoxy]benzoic acid
Also Known As: Centapicrin, Imafen, 3-[[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxyoxan-2-yl]methoxy]benzoic acid, Benzoic acid, 3-hydroxy-, 2'-ester with 6-((3-O-acetyl-beta-D-glucopyranosyl)oxy)-5-ethenyl-4,4a,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one, (4aS-(4aalpha,5beta,6alpha))-, (2S,3R,4S,5R,6R)-2-(((3R,4R,4ar)-4-ethenyl-8-oxo-3H,4H,4ah,5H,6H,8H-pyrano(3,4-c)pyran-3-yl)oxy)-4-(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl 3-hydroxybenzoic acid
| Molecular Formula | C25H28O12 |
|---|---|
| Molecular Weight | 520.16 g/mol |
| LogP | 0.7641 |
| Topological Polar Surface Area | 167.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.1581 |
| Heavy Atoms | 37 |
| Complexity | 1067.5068 |
Chemical Identifiers
| CAS Number | 59193-73-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]2[C@@H]([C@@H]3CCOC(=O)C3=CO2)C=C)COC4=CC=CC(=C4)C(=O)O)O |
Product Overview
Centapicrin (CAS 59193-73-6), with molecular formula C25H28O12 and molecular weight 520.16 g/mol. IUPAC: 3-[[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxyoxan-2-yl]methoxy]benzoic acid.
Chemical Property Profile of Centapicrin
Property Insights of Centapicrin
The XLogP value of 0.7641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Centapicrin. The TPSA of 167.28 Ų indicates high polarity, suggesting Centapicrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Centapicrin has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Centapicrin?
The CAS number of Centapicrin is 59193-73-6.
What is the molecular formula of Centapicrin?
The molecular formula of Centapicrin is C25H28O12.
What is the molecular weight of Centapicrin?
The molecular weight of Centapicrin is 520.16 g/mol.
Where can I buy Centapicrin?
You can request a quote for Centapicrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Centapicrin?
Yes, KEHONG BIO provides custom synthesis services for Centapicrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.