Humulone, lead salt
TL;DR: Humulone, lead salt (CAS 68901-11-1) is a chemical compound with molecular formula C21H28O5Pb and molecular weight 568.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)-5-oxocyclohexa-1,3-diene-1,3-diolate;lead(2+)
Also Known As: Humulone, lead salt, (R)-3,5,6-Trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)cyclohexa-2,4-dien-1-one, lead salt, 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-2-oxobutyl)-, lead salt, (6R)-, 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-2-oxobutyl)-, lead salt (1:?), (6R)-, lead(2+) 6-hydroxy-4,6-bis(3-methylbut-2-en-1-yl)-2-(3-methyl-2-oxobutyl)-5-oxocyclohexa-1,3-diene-1,3-diolate
| Molecular Formula | C21H28O5Pb |
|---|---|
| Molecular Weight | 568.17 g/mol |
| LogP | 1.48 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 568.17035 |
| Heavy Atoms | 27 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 68901-11-1 |
|---|---|
| SMILES | CC(C)C(=O)CC1=C(C(C(=O)C(=C1[O-])CC=C(C)C)(CC=C(C)C)O)[O-].[Pb+2] |
| InChIKey | RVQXHSQAZNKBNW-UHFFFAOYSA-L |
Product Overview
Humulone, lead salt (CAS 68901-11-1), with molecular formula C21H28O5Pb and molecular weight 568.17 g/mol. IUPAC: 6-hydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)-5-oxocyclohexa-1,3-diene-1,3-diolate;lead(2+).
Chemical Property Profile of Humulone, lead salt
Property Insights of Humulone, lead salt
The XLogP value of 1.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Humulone, lead salt. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Humulone, lead salt. Following Lipinski's Rule of Five, Humulone, lead salt has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Humulone, lead salt?
The CAS number of Humulone, lead salt is 68901-11-1.
What is the molecular formula of Humulone, lead salt?
The molecular formula of Humulone, lead salt is C21H28O5Pb.
What is the molecular weight of Humulone, lead salt?
The molecular weight of Humulone, lead salt is 568.17 g/mol.
Where can I buy Humulone, lead salt?
You can request a quote for Humulone, lead salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Humulone, lead salt?
Yes, KEHONG BIO provides custom synthesis services for Humulone, lead salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.