Bicycloalternarene 9
TL;DR: Bicycloalternarene 9 (CAS 103873-58-1) 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-[[2-hydroxy-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]methyl]cyclohex-2-en-1-one
Also Known As: Bicycloalternarene 9, ACTG-toxin B, ACTG Toxin B, Bicycloalternarene 3, J1.515.286I
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 3.9922 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 605.38556 |
Chemical Identifiers
| CAS Number | 103873-58-1 |
|---|---|
| SMILES | CC(=CC/C=C(\C)/C1CCC(C1CC2=C(C(CCC2=O)O)O)(C)O)C |
Product Overview
Bicycloalternarene 9 (CAS 103873-58-1), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 3,4-dihydroxy-2-[[2-hydroxy-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]methyl]cyclohex-2-en-1-one.
Chemical Property Profile of Bicycloalternarene 9
Property Insights of Bicycloalternarene 9
The XLogP value of 3.9922 indicates that Bicycloalternarene 9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicycloalternarene 9. Following Lipinski's Rule of Five, Bicycloalternarene 9 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 9?
The CAS number of Bicycloalternarene 9 is 103873-58-1.
What is the molecular formula of Bicycloalternarene 9?
The molecular formula of Bicycloalternarene 9 is C21H32O4.
What is the molecular weight of Bicycloalternarene 9?
The molecular weight of Bicycloalternarene 9 is 348.23 g/mol.
Where can I buy Bicycloalternarene 9?
You can request a quote for Bicycloalternarene 9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicycloalternarene 9?
Yes, KEHONG BIO provides custom synthesis services for Bicycloalternarene 9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.