Bicycloalternarene 3
TL;DR: Bicycloalternarene 3 (CAS 1126-75-6) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one
Also Known As: Bicycloalternarene 3, ACTG-toxin A, ACTG Toxin A, 3,4-dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one, 3,4-dihydroxy-2-{[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl}cyclohex-2-en-1-one
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 1126-75-6 |
|---|---|
| SMILES | CC(CCC=C(C)C)C1=CCC(C1CC2=C(C(CCC2=O)O)O)(C)O |
| InChIKey | SVUAWISCDNAMSM-UHFFFAOYSA-N |
Product Overview
Bicycloalternarene 3 (CAS 1126-75-6), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 3,4-dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one.
Chemical Property Profile of Bicycloalternarene 3
Property Insights of Bicycloalternarene 3
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicycloalternarene 3. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicycloalternarene 3. Following Lipinski's Rule of Five, Bicycloalternarene 3 has 3 hydrogen bond donor(s) and 4 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 Bicycloalternarene 3?
The CAS number of Bicycloalternarene 3 is 1126-75-6.
What is the molecular formula of Bicycloalternarene 3?
The molecular formula of Bicycloalternarene 3 is C21H32O4.
What is the molecular weight of Bicycloalternarene 3?
The molecular weight of Bicycloalternarene 3 is 348.23 g/mol.
Where can I buy Bicycloalternarene 3?
You can request a quote for Bicycloalternarene 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicycloalternarene 3?
Yes, KEHONG BIO provides custom synthesis services for Bicycloalternarene 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.