Betulonal
TL;DR: Betulonal (CAS 4439-98-9) is a chemical compound with molecular formula C30H46O2 and molecular weight 438.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
Also Known As: betulonaldehyde, Betulonal, Betulonic Aldehyde, Betulone aldehyde, Betulonolic aldehyde
| Molecular Formula | C30H46O2 |
|---|---|
| Molecular Weight | 438.35 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.3498 |
| Heavy Atoms | 32 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 4439-98-9 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C=O |
| InChIKey | MHAVMNJPXLZEIG-CNRMHUMKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Betulonal (CAS 4439-98-9), with molecular formula C30H46O2 and molecular weight 438.35 g/mol. IUPAC: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde.
Chemical Property Profile of Betulonal
Property Insights of Betulonal
The XLogP value of 7.8 indicates that Betulonal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Betulonal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Betulonal has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Betulonal?
The CAS number of Betulonal is 4439-98-9.
What is the molecular formula of Betulonal?
The molecular formula of Betulonal is C30H46O2.
What is the molecular weight of Betulonal?
The molecular weight of Betulonal is 438.35 g/mol.
Where can I buy Betulonal?
You can request a quote for Betulonal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betulonal?
Yes, KEHONG BIO provides custom synthesis services for Betulonal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.