Katacine
TL;DR: Katacine (CAS 135151-34-7) is a chemical compound with molecular formula C45H38O21 and molecular weight 914.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S)-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Also Known As: KATACINE, Spectrum4_001774, Spectrum5_000387, KBio1_001912, DivK1c_006968
| Molecular Formula | C45H38O21 |
|---|---|
| Molecular Weight | 914.19 g/mol |
| LogP | 3.5607 |
| Topological Polar Surface Area | 391.83 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 5 |
| Exact Mass | 914.19055 |
| Heavy Atoms | 66 |
| Complexity | 2935.151 |
Chemical Identifiers
| CAS Number | 135151-34-7 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C(=C7)O)O)O)O)C8=CC(=C(C(=C8)O)O)O)O)O)O)C9=CC(=C(C(=C9)O)O)O)O |
Product Overview
Katacine (CAS 135151-34-7), with molecular formula C45H38O21 and molecular weight 914.19 g/mol. IUPAC: (2R,3R,4S)-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.
Chemical Property Profile of Katacine
Property Insights of Katacine
The XLogP value of 3.5607 indicates that Katacine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 391.83 Ų indicates high polarity, suggesting Katacine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Katacine has 18 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Katacine?
The CAS number of Katacine is 135151-34-7.
What is the molecular formula of Katacine?
The molecular formula of Katacine is C45H38O21.
What is the molecular weight of Katacine?
The molecular weight of Katacine is 914.19 g/mol.
Where can I buy Katacine?
You can request a quote for Katacine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Katacine?
Yes, KEHONG BIO provides custom synthesis services for Katacine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.