Botrydiol
TL;DR: Botrydiol (CAS 78433-22-4) is a chemical compound with molecular formula C17H30O5 and molecular weight 314.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aR,4S,6R,7R,7aR)-7a-hydroxy-1,7-bis(hydroxymethyl)-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
Also Known As: Botrydiol, J1.889.548J, Acetic acid 7a-hydroxy-1,7-bis-hydroxymethyl-1,3,3,6-tetramethyl-octahydro-inden-4-yl ester, (1R,3aR,4S,6R,7R,7aR)-7a-hydroxy-1,7-bis(hydroxymethyl)-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl rel-acetate, 1H-indene-1,7-dimethanol, 4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-, (1R,3aR,4S,6R,7R,7aR)-
| Molecular Formula | C17H30O5 |
|---|---|
| Molecular Weight | 314.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.20932 |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 78433-22-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@]([C@H]1CO)([C@@](CC2(C)C)(C)CO)O)OC(=O)C |
| InChIKey | ZTCADFMXQOOSBU-GKKOWQTJSA-N |
Product Overview
Botrydiol (CAS 78433-22-4), with molecular formula C17H30O5 and molecular weight 314.21 g/mol. IUPAC: [(1R,3aR,4S,6R,7R,7aR)-7a-hydroxy-1,7-bis(hydroxymethyl)-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate.
Chemical Property Profile of Botrydiol
Property Insights of Botrydiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Botrydiol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Botrydiol. Following Lipinski's Rule of Five, Botrydiol has 3 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 Botrydiol?
The CAS number of Botrydiol is 78433-22-4.
What is the molecular formula of Botrydiol?
The molecular formula of Botrydiol is C17H30O5.
What is the molecular weight of Botrydiol?
The molecular weight of Botrydiol is 314.21 g/mol.
Where can I buy Botrydiol?
You can request a quote for Botrydiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Botrydiol?
Yes, KEHONG BIO provides custom synthesis services for Botrydiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.