Brevifoliol
TL;DR: Brevifoliol (CAS 134955-83-2) is a chemical compound with molecular formula C31H40O9 and molecular weight 556.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4R,5R,5aS,6S,8S,9aR,10aS)-5,6-diacetyloxy-2,8-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate
Also Known As: Brevifoliol, 2-Deacetoxytaxchinin A, [(2S,4R,5R,5aS,6S,8S,9aR,10aS)-5,6-diacetyloxy-2,8-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate, ((2S,4R,5R,5aS,6S,8S,9aR,10aS)-5,6-diacetyloxy-2,8-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo(g)azulen-4-yl) benzoate, (2S,3aS,4aR,6S,8S,8aS,9R,10R)-8,9-Bis(acetyloxy)-2,6-dihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2,3,3a,4,4a,5,6,7,8,8a,9,10-dodecahydrobenzo[f]azulen-10-yl benzoate
| Molecular Formula | C31H40O9 |
|---|---|
| Molecular Weight | 556.27 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 556.2672 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 134955-83-2 |
|---|---|
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3C[C@@]2(C[C@@H]1O)C(C)(C)O)O)OC(=O)C)C)OC(=O)C)OC(=O)C4=CC=CC=C4 |
| InChIKey | VWGCDYGRSUJYGJ-GPOPEEISSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brevifoliol (CAS 134955-83-2), with molecular formula C31H40O9 and molecular weight 556.27 g/mol. IUPAC: [(2S,4R,5R,5aS,6S,8S,9aR,10aS)-5,6-diacetyloxy-2,8-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate.
Chemical Property Profile of Brevifoliol
Property Insights of Brevifoliol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brevifoliol. The TPSA of 140.0 Ų indicates high polarity, suggesting Brevifoliol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brevifoliol has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brevifoliol?
The CAS number of Brevifoliol is 134955-83-2.
What is the molecular formula of Brevifoliol?
The molecular formula of Brevifoliol is C31H40O9.
What is the molecular weight of Brevifoliol?
The molecular weight of Brevifoliol is 556.27 g/mol.
Where can I buy Brevifoliol?
You can request a quote for Brevifoliol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brevifoliol?
Yes, KEHONG BIO provides custom synthesis services for Brevifoliol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.