Betulin ditosylate
TL;DR: Betulin ditosylate (CAS 77265-02-2) is a chemical compound with molecular formula C44H62O6S2 and molecular weight 750.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5a,5b,8,8,11a-pentamethyl-9-(4-methylphenyl)sulfonyloxy-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 4-methylbenzenesulfonate
Also Known As: Betulin ditosylate, [5a,5b,8,8,11a-pentamethyl-9-(4-methylphenyl)sulfonyloxy-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 4-methylbenzenesulfonate
| Molecular Formula | C44H62O6S2 |
|---|---|
| Molecular Weight | 750.40 g/mol |
| LogP | 10.44044 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 750.3988 |
| Heavy Atoms | 52 |
| Complexity | 1916.732 |
Chemical Identifiers
| CAS Number | 77265-02-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(C2C4CCC5C6(CCC(C(C6CCC5(C4(CC3)C)C)(C)C)OS(=O)(=O)C7=CC=C(C=C7)C)C)C(=C)C |
Product Overview
Betulin ditosylate (CAS 77265-02-2), with molecular formula C44H62O6S2 and molecular weight 750.40 g/mol. IUPAC: [5a,5b,8,8,11a-pentamethyl-9-(4-methylphenyl)sulfonyloxy-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 4-methylbenzenesulfonate.
Chemical Property Profile of Betulin ditosylate
Property Insights of Betulin ditosylate
The XLogP value of 10.44044 indicates that Betulin ditosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Betulin ditosylate. Following Lipinski's Rule of Five, Betulin ditosylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Betulin ditosylate?
The CAS number of Betulin ditosylate is 77265-02-2.
What is the molecular formula of Betulin ditosylate?
The molecular formula of Betulin ditosylate is C44H62O6S2.
What is the molecular weight of Betulin ditosylate?
The molecular weight of Betulin ditosylate is 750.40 g/mol.
Where can I buy Betulin ditosylate?
You can request a quote for Betulin ditosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betulin ditosylate?
Yes, KEHONG BIO provides custom synthesis services for Betulin ditosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.