茶黄素
TL;DR: 茶黄素 (CAS 4670-05-7) is a chemical compound with molecular formula C29H24O12 and molecular weight 564.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茶黄素
3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one
Also Known As: Theaflavin, Theaflavine, (-)-Theaflavin, Theaflavin (Standard), HY-N0243R
| Molecular Formula | C29H24O12 |
|---|---|
| Molecular Weight | 564.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 564.1268 |
| Heavy Atoms | 41 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 4670-05-7 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O |
| InChIKey | IPMYMEWFZKHGAX-ZKSIBHASSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
茶黄素 (CAS 4670-05-7), with molecular formula C29H24O12 and molecular weight 564.13 g/mol. IUPAC: 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one.
Chemical Property Profile of 茶黄素
Property Insights of 茶黄素
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茶黄素. The TPSA of 218.0 Ų indicates high polarity, suggesting 茶黄素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 茶黄素 has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 茶黄素?
The CAS number of 茶黄素 is 4670-05-7.
What is the molecular formula of 茶黄素?
The molecular formula of 茶黄素 is C29H24O12.
What is the molecular weight of 茶黄素?
The molecular weight of 茶黄素 is 564.13 g/mol.
Where can I buy 茶黄素?
You can request a quote for 茶黄素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茶黄素?
Yes, KEHONG BIO provides custom synthesis services for 茶黄素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.