Brianolide
TL;DR: Brianolide (CAS 131400-39-0) is a chemical compound with molecular formula C24H31ClO10 and molecular weight 514.1606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13-acetyloxy-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.03,5.08,12.017,19]nonadecan-16-yl) acetate
Also Known As: Brianolide, Thiourea,N-phenyl-N'-3-pyridinyl, (13-acetyloxy-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.03,5.08,12.017,19]nonadecan-16-yl) acetate, Oxireno(7,8)oxireno(3',4')benzo(1',2':4,5)cyclodeca(1,2-b)furan-2(3H)-one, 4,6-bis(acetyloxy)-11-chlorotetradecahydro-3a,8-dihydroxy-3,5,7b-trimethyl-10-methylene-, (3R-(3R*,3aR*,4S*,4aS*,5R*,6R*,6aS*,7aR*,7bS*,8R*,8aS*,9aR*,11S*,11aR*))-, (13-acetyloxy-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo(12.5.0.03,5.08,12.017,19)nonadecan-16-yl) acetate
Technical Specifications
| Molecular Formula | C24H31ClO10 |
| Molecular Weight | 514.1606 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.1606 Da |
| Heavy Atoms | 35 |
| Complexity | 985.0 |
| SMILES | CC1C2C(C3(C(C(=O)OC3C(C(=C)C4C(O4)C(C2(C5C(C1OC(=O)C)O5)C)O)Cl)C)O)OC(=O)C |
| InChIKey | PGRWMZUTBYCJHO-UHFFFAOYSA-N |
Chemical Property Profile of Brianolide
Property Insights of Brianolide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brianolide. The TPSA of 144.0 Ų indicates high polarity, suggesting Brianolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brianolide has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Brianolide?
The CAS number of Brianolide is 131400-39-0.
What is the molecular formula of Brianolide?
The molecular formula of Brianolide is C24H31ClO10.
What is the molecular weight of Brianolide?
The molecular weight of Brianolide is 514.1606 g/mol.
Where can I buy Brianolide?
You can request a quote for Brianolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brianolide?
Yes, CoreyChem provides custom synthesis services for Brianolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.