Warburganal
TL;DR: Warburganal (CAS 62994-47-2) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aS,8aS)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
Also Known As: Warburganal, WARBURGANAL [MI], (-)-WARBURGANAL, WARBURGANAL, (-)-, (1S,4aS,8aS)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 62994-47-2 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1CC=C([C@@]2(C=O)O)C=O)(C)C |
| InChIKey | QGMWDUUHVVLHNP-AEGPPILISA-N |
Product Overview
Warburganal (CAS 62994-47-2), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (1S,4aS,8aS)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde.
Chemical Property Profile of Warburganal
Property Insights of Warburganal
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Warburganal. With a topological polar surface area (TPSA) of 54.4 Ų, Warburganal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Warburganal has 1 hydrogen bond donor(s) and 3 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 Warburganal?
The CAS number of Warburganal is 62994-47-2.
What is the molecular formula of Warburganal?
The molecular formula of Warburganal is C15H22O3.
What is the molecular weight of Warburganal?
The molecular weight of Warburganal is 250.16 g/mol.
Where can I buy Warburganal?
You can request a quote for Warburganal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Warburganal?
Yes, KEHONG BIO provides custom synthesis services for Warburganal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.