Bvryltbigiaadd-uhfffaoysa-
TL;DR: Bvryltbigiaadd-uhfffaoysa- (CAS 5162-00-5) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate
Also Known As: Isobutylshikonin, Isobutyrylshikonin, BVRYLTBIGIAADD-UHFFFAOYSA-, 1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate, 2-(1-isobutanoyloxy-4-methyl-3-pentenyl)-5,8-dihydroxy-1,4-naphthoquinone
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 5162-00-5 |
|---|---|
| SMILES | CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
| InChIKey | BVRYLTBIGIAADD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bvryltbigiaadd-uhfffaoysa- (CAS 5162-00-5), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate.
Chemical Property Profile of Bvryltbigiaadd-uhfffaoysa-
Property Insights of Bvryltbigiaadd-uhfffaoysa-
The XLogP value of 4.6 indicates that Bvryltbigiaadd-uhfffaoysa- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bvryltbigiaadd-uhfffaoysa-. Following Lipinski's Rule of Five, Bvryltbigiaadd-uhfffaoysa- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bvryltbigiaadd-uhfffaoysa-?
The CAS number of Bvryltbigiaadd-uhfffaoysa- is 5162-00-5.
What is the molecular formula of Bvryltbigiaadd-uhfffaoysa-?
The molecular formula of Bvryltbigiaadd-uhfffaoysa- is C20H22O6.
What is the molecular weight of Bvryltbigiaadd-uhfffaoysa-?
The molecular weight of Bvryltbigiaadd-uhfffaoysa- is 358.14 g/mol.
Where can I buy Bvryltbigiaadd-uhfffaoysa-?
You can request a quote for Bvryltbigiaadd-uhfffaoysa- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bvryltbigiaadd-uhfffaoysa-?
Yes, KEHONG BIO provides custom synthesis services for Bvryltbigiaadd-uhfffaoysa- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.