Brianolide
TL;DR: Brianolide (CAS 131400-39-0) is a chemical compound with molecular formula C24H31ClO10 and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C24H31ClO10 |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 0.4875 |
| Topological Polar Surface Area | 144.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 514.1606 |
| Heavy Atoms | 35 |
| Complexity | 985.3516 |
Chemical Identifiers
| CAS Number | 131400-39-0 |
|---|---|
| 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 |
Product Overview
Brianolide (CAS 131400-39-0), with molecular formula C24H31ClO10 and molecular weight 514.16 g/mol. IUPAC: (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.
Chemical Property Profile of Brianolide
Property Insights of Brianolide
The XLogP value of 0.4875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brianolide. The TPSA of 144.42 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
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 514.16 g/mol.
Where can I buy Brianolide?
You can request a quote for Brianolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brianolide?
Yes, KEHONG BIO provides custom synthesis services for Brianolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.