Aurovertin B
TL;DR: Aurovertin B (CAS 55350-03-3) is a chemical compound with molecular formula C25H32O8 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,4S,5S,7R,8S)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
Also Known As: aurovertin b, Aurovertin-B, aurovertin B from calcarisporium*arbuscula, [(1S,3S,4S,5S,7R,8S)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate, AUR
| Molecular Formula | C25H32O8 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.20972 |
| Heavy Atoms | 33 |
| Complexity | 942.0 |
Chemical Identifiers
| CAS Number | 55350-03-3 |
|---|---|
| SMILES | CC[C@@H]1[C@]2([C@H]([C@@](O1)([C@H]([C@@H](O2)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C |
| InChIKey | QXCOFYWOWZJFEA-YJMRODJJSA-N |
Product Overview
Aurovertin B (CAS 55350-03-3), with molecular formula C25H32O8 and molecular weight 460.21 g/mol. IUPAC: [(1S,3S,4S,5S,7R,8S)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate.
Chemical Property Profile of Aurovertin B
Property Insights of Aurovertin B
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aurovertin B. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aurovertin B. Following Lipinski's Rule of Five, Aurovertin B has 1 hydrogen bond donor(s) and 8 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 Aurovertin B?
The CAS number of Aurovertin B is 55350-03-3.
What is the molecular formula of Aurovertin B?
The molecular formula of Aurovertin B is C25H32O8.
What is the molecular weight of Aurovertin B?
The molecular weight of Aurovertin B is 460.21 g/mol.
Where can I buy Aurovertin B?
You can request a quote for Aurovertin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aurovertin B?
Yes, KEHONG BIO provides custom synthesis services for Aurovertin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.