28-Acetylbetulin
TL;DR: 28-Acetylbetulin (CAS 27686-35-7) 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.
(9-hydroxy-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-3a-yl)methyl acetate
Also Known As: 28-Acetylbetulin, (9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methyl acetate, (9-hydroxy-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-3a-yl)methyl acetate
| Molecular Formula | C32H52O3 |
|---|---|
| Molecular Weight | 484.39 g/mol |
| LogP | 7.568 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.39163 |
| Heavy Atoms | 35 |
| Complexity | 891.2392 |
Chemical Identifiers
| CAS Number | 27686-35-7 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)COC(=O)C |
Product Overview
28-Acetylbetulin (CAS 27686-35-7), with molecular formula C32H52O3 and molecular weight 484.39 g/mol. IUPAC: (9-hydroxy-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-3a-yl)methyl acetate.
Chemical Property Profile of 28-Acetylbetulin
Property Insights of 28-Acetylbetulin
The XLogP value of 7.568 indicates that 28-Acetylbetulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 28-Acetylbetulin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 28-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 28-Acetylbetulin?
The CAS number of 28-Acetylbetulin is 27686-35-7.
What is the molecular formula of 28-Acetylbetulin?
The molecular formula of 28-Acetylbetulin is C32H52O3.
What is the molecular weight of 28-Acetylbetulin?
The molecular weight of 28-Acetylbetulin is 484.39 g/mol.
Where can I buy 28-Acetylbetulin?
You can request a quote for 28-Acetylbetulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 28-Acetylbetulin?
Yes, KEHONG BIO provides custom synthesis services for 28-Acetylbetulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.