白桦酮酸
TL;DR: 白桦酮酸 (CAS 4481-62-3) is a chemical compound with molecular formula C30H46O3 and molecular weight 454.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白桦酮酸
(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-carboxylic acid
Also Known As: Betulonic acid, Betulonicacid, Liquidambaric acid, Betunolic Acid, Betulinonic acid
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 4481-62-3 |
|---|---|
| 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)O |
| InChIKey | SLJTWDNVZKIDAU-SVAFSPIFSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
白桦酮酸 (CAS 4481-62-3), with molecular formula C30H46O3 and molecular weight 454.34 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-carboxylic acid.
Chemical Property Profile of 白桦酮酸
Property Insights of 白桦酮酸
The XLogP value of 7.9 indicates that 白桦酮酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 白桦酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 白桦酮酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 白桦酮酸?
The CAS number of 白桦酮酸 is 4481-62-3.
What is the molecular formula of 白桦酮酸?
The molecular formula of 白桦酮酸 is C30H46O3.
What is the molecular weight of 白桦酮酸?
The molecular weight of 白桦酮酸 is 454.34 g/mol.
Where can I buy 白桦酮酸?
You can request a quote for 白桦酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白桦酮酸?
Yes, KEHONG BIO provides custom synthesis services for 白桦酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.