Botrydial
TL;DR: Botrydial (CAS 6335-80-4) is a chemical compound with molecular formula C17H26O5 and molecular weight 310.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
Also Known As: Botrydial, BOTRYDIAL [MI], 2,9-Dimethyl-3,4-benzo-phenanthren, (1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate, ((1S,3aR,4S,6R,7S,7aR)-1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl) acetate
| Molecular Formula | C17H26O5 |
|---|---|
| Molecular Weight | 310.18 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.178 |
| Heavy Atoms | 22 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 6335-80-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@]([C@H]1C=O)([C@@](CC2(C)C)(C)C=O)O)OC(=O)C |
| InChIKey | SJFIYVCSGNWVPJ-GKKOWQTJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Botrydial (CAS 6335-80-4), with molecular formula C17H26O5 and molecular weight 310.18 g/mol. IUPAC: [(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate.
Chemical Property Profile of Botrydial
Property Insights of Botrydial
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Botrydial. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Botrydial. Following Lipinski's Rule of Five, Botrydial has 1 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 Botrydial?
The CAS number of Botrydial is 6335-80-4.
What is the molecular formula of Botrydial?
The molecular formula of Botrydial is C17H26O5.
What is the molecular weight of Botrydial?
The molecular weight of Botrydial is 310.18 g/mol.
Where can I buy Botrydial?
You can request a quote for Botrydial directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Botrydial?
Yes, KEHONG BIO provides custom synthesis services for Botrydial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.