Botrydienal
TL;DR: Botrydienal (CAS 97165-23-6) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6R)-1,3,3,6-tetramethyl-5,6-dihydro-2H-indene-1,7-dicarbaldehyde
Also Known As: Botrydienal, N(1)-Methyl-2-iodo-lysergic acid diethylamide, (1S,6R)-1,3,3,6-tetramethyl-5,6-dihydro-2H-indene-1,7-dicarbaldehyde, (1S,6R)-1,3,3,6-tetramethyl-2,3,5,6-tetrahydro-1H-indene-1,7-dicarbaldehyde, 1H-Indene-1,7-dicarboxaldehyde, 2,3,5,6-tetrahydro-1,3,3,6-tetramethyl-, (1S,6R)-
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 97165-23-6 |
|---|---|
| SMILES | C[C@@H]1CC=C2C(=C1C=O)[C@@](CC2(C)C)(C)C=O |
| InChIKey | CFAMAVBUWMXYLX-MEBBXXQBSA-N |
Product Overview
Botrydienal (CAS 97165-23-6), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (1S,6R)-1,3,3,6-tetramethyl-5,6-dihydro-2H-indene-1,7-dicarbaldehyde.
Chemical Property Profile of Botrydienal
Property Insights of Botrydienal
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Botrydienal. With a topological polar surface area (TPSA) of 34.1 Ų, Botrydienal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Botrydienal has 0 hydrogen bond donor(s) and 2 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 Botrydienal?
The CAS number of Botrydienal is 97165-23-6.
What is the molecular formula of Botrydienal?
The molecular formula of Botrydienal is C15H20O2.
What is the molecular weight of Botrydienal?
The molecular weight of Botrydienal is 232.15 g/mol.
Where can I buy Botrydienal?
You can request a quote for Botrydienal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Botrydienal?
Yes, KEHONG BIO provides custom synthesis services for Botrydienal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.