Thielavin B
TL;DR: Thielavin B (CAS 71950-67-9) is a chemical compound with molecular formula C31H34O10 and molecular weight 566.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
Also Known As: Thielavin B, Thielavin-B, thielavinB, Metahexes trol, HY-N10226
| Molecular Formula | C31H34O10 |
|---|---|
| Molecular Weight | 566.22 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.2152 |
| Heavy Atoms | 41 |
| Complexity | 940.0 |
Chemical Identifiers
| CAS Number | 71950-67-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)OC)C)O)C)O |
| InChIKey | UULGWGARYDGVBM-UHFFFAOYSA-N |
Product Overview
Thielavin B (CAS 71950-67-9), with molecular formula C31H34O10 and molecular weight 566.22 g/mol. IUPAC: 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid.
Chemical Property Profile of Thielavin B
Property Insights of Thielavin B
The XLogP value of 7.0 indicates that Thielavin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Thielavin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thielavin B has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thielavin B?
The CAS number of Thielavin B is 71950-67-9.
What is the molecular formula of Thielavin B?
The molecular formula of Thielavin B is C31H34O10.
What is the molecular weight of Thielavin B?
The molecular weight of Thielavin B is 566.22 g/mol.
Where can I buy Thielavin B?
You can request a quote for Thielavin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thielavin B?
Yes, KEHONG BIO provides custom synthesis services for Thielavin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.