Balduilin
TL;DR: Balduilin (CAS 6895-47-2) is a chemical compound with molecular formula C17H20O5 and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
Also Known As: Balduilin, Balduiline, Baldulin, Linifoline A, Ambrosa-2,11(13)-dien-12-oic acid, 6-beta,8-beta-dihydroxy-4-oxo-, 12,8-lactone, acetate
| Molecular Formula | C17H20O5 |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.13107 |
| Heavy Atoms | 22 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 6895-47-2 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2 |
| InChIKey | DCNRYQODUSSOKC-CXKORZBMSA-N |
Product Overview
Balduilin (CAS 6895-47-2), with molecular formula C17H20O5 and molecular weight 304.13 g/mol. IUPAC: [(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate.
Chemical Property Profile of Balduilin
Property Insights of Balduilin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Balduilin. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Balduilin. Following Lipinski's Rule of Five, Balduilin has 0 hydrogen bond donor(s) and 5 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 Balduilin?
The CAS number of Balduilin is 6895-47-2.
What is the molecular formula of Balduilin?
The molecular formula of Balduilin is C17H20O5.
What is the molecular weight of Balduilin?
The molecular weight of Balduilin is 304.13 g/mol.
Where can I buy Balduilin?
You can request a quote for Balduilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Balduilin?
Yes, KEHONG BIO provides custom synthesis services for Balduilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.