J3.465.468I
TL;DR: J3.465.468I (CAS 64190-90-5) is a chemical compound with molecular formula C23H24O13 and molecular weight 508.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: J3.465.468I, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-(beta-D- glucopyranosyloxy)-5-hydroxy-3,7-dimethoxy-, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-oxo-4H-1-benzopyran-6-yl hexopyranoside, 2-(3,4-Dihydroxyphenyl)-3,7-dimethoxy-5-hydroxy-6-(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-oxo-4H-1-benzopyran-6-yl beta-D-glucopyranoside
| Molecular Formula | C23H24O13 |
|---|---|
| Molecular Weight | 508.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.1217 |
| Heavy Atoms | 36 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 64190-90-5 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | QSJCBTMNXPAKKC-XCSGUALTSA-N |
Product Overview
J3.465.468I (CAS 64190-90-5), with molecular formula C23H24O13 and molecular weight 508.12 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of J3.465.468I
Property Insights of J3.465.468I
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.465.468I. The TPSA of 205.0 Ų indicates high polarity, suggesting J3.465.468I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J3.465.468I has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J3.465.468I?
The CAS number of J3.465.468I is 64190-90-5.
What is the molecular formula of J3.465.468I?
The molecular formula of J3.465.468I is C23H24O13.
What is the molecular weight of J3.465.468I?
The molecular weight of J3.465.468I is 508.12 g/mol.
Where can I buy J3.465.468I?
You can request a quote for J3.465.468I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.465.468I?
Yes, KEHONG BIO provides custom synthesis services for J3.465.468I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.