Bis(helenalinyl)malonate
TL;DR: Bis(helenalinyl)malonate (CAS 68322-91-8) is a chemical compound with molecular formula C33H36O10 and molecular weight 592.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) propanedioate
Also Known As: Bis(helenalinyl)malonate, BHMN, Bis(helenalinyl) malonate, BISHELENALINYL MALONATE, bis(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) propanedioate
| Molecular Formula | C33H36O10 |
|---|---|
| Molecular Weight | 592.23 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.23083 |
| Heavy Atoms | 43 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 68322-91-8 |
|---|---|
| SMILES | CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)CC(=O)OC4C5C(CC(C6C4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2 |
| InChIKey | YTQIEACOYYTJSM-UHFFFAOYSA-N |
Product Overview
Bis(helenalinyl)malonate (CAS 68322-91-8), with molecular formula C33H36O10 and molecular weight 592.23 g/mol. IUPAC: bis(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) propanedioate.
Chemical Property Profile of Bis(helenalinyl)malonate
Property Insights of Bis(helenalinyl)malonate
The XLogP value of 3.9 indicates that Bis(helenalinyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(helenalinyl)malonate. Following Lipinski's Rule of Five, Bis(helenalinyl)malonate has 0 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 Bis(helenalinyl)malonate?
The CAS number of Bis(helenalinyl)malonate is 68322-91-8.
What is the molecular formula of Bis(helenalinyl)malonate?
The molecular formula of Bis(helenalinyl)malonate is C33H36O10.
What is the molecular weight of Bis(helenalinyl)malonate?
The molecular weight of Bis(helenalinyl)malonate is 592.23 g/mol.
Where can I buy Bis(helenalinyl)malonate?
You can request a quote for Bis(helenalinyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(helenalinyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(helenalinyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.