Millisorin B
TL;DR: Millisorin B (CAS 72229-34-6) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate
Also Known As: Millisorin B, millisorinB, [(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate, Oxiranecarboxylic acid, 2,3-dimethyl-, 2,3,3a,4,5,8,9,11a-octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*(2R*,3R*),6E,8S*,10E,11aR*))-, RefChem:158909
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 2.2207 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 705.08997 |
Chemical Identifiers
| CAS Number | 72229-34-6 |
|---|---|
| SMILES | C[C@@H]1[C@](O1)(C)C(=O)O[C@@H]2C/C(=C\[C@H](C/C(=C\[C@@H]3[C@@H]2C(=C)C(=O)O3)/C)O)/C |
Product Overview
Millisorin B (CAS 72229-34-6), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: [(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate.
Chemical Property Profile of Millisorin B
Property Insights of Millisorin B
The XLogP value of 2.2207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Millisorin B. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Millisorin B. Following Lipinski's Rule of Five, Millisorin B has 1 hydrogen bond donor(s) and 6 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 Millisorin B?
The CAS number of Millisorin B is 72229-34-6.
What is the molecular formula of Millisorin B?
The molecular formula of Millisorin B is C20H26O6.
What is the molecular weight of Millisorin B?
The molecular weight of Millisorin B is 362.17 g/mol.
Where can I buy Millisorin B?
You can request a quote for Millisorin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Millisorin B?
Yes, KEHONG BIO provides custom synthesis services for Millisorin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.