3-Acetylbetulin
TL;DR: 3-Acetylbetulin (CAS 27570-20-3) is a chemical compound with molecular formula C32H52O3 and molecular weight 484.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
Also Known As: 3-Acetylbetulin, Betulin 3-acetate, Betulin-3-acetate, 3-Acetyl Betulin, Betulin monoacetate
| Molecular Formula | C32H52O3 |
|---|---|
| Molecular Weight | 484.39 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.39163 |
| Heavy Atoms | 35 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 27570-20-3 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)CO |
| InChIKey | XUDTWJGGQFHXCR-VFUWXHBOSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetylbetulin (CAS 27570-20-3), with molecular formula C32H52O3 and molecular weight 484.39 g/mol. IUPAC: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate.
Chemical Property Profile of 3-Acetylbetulin
Property Insights of 3-Acetylbetulin
The XLogP value of 8.9 indicates that 3-Acetylbetulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Acetylbetulin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylbetulin 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 3-Acetylbetulin?
The CAS number of 3-Acetylbetulin is 27570-20-3.
What is the molecular formula of 3-Acetylbetulin?
The molecular formula of 3-Acetylbetulin is C32H52O3.
What is the molecular weight of 3-Acetylbetulin?
The molecular weight of 3-Acetylbetulin is 484.39 g/mol.
Where can I buy 3-Acetylbetulin?
You can request a quote for 3-Acetylbetulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylbetulin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylbetulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.