Methyl-3b-acetoxybetulinate
TL;DR: Methyl-3b-acetoxybetulinate (CAS 4356-30-3) is a chemical compound with molecular formula C33H52O4 and molecular weight 512.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-acetyloxy-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]chrysene-3a-carboxylate
Also Known As: Methyl-3b-acetoxybetulinate, Methyl 3b-acetylbetulinate, Methyl 3beta-acetoxylup-20(29)-en-28-oate, Methyl 3-(acetyloxy)lup-20(30)-en-28-oate #, Lup-20(29)-en-28-oic acid,3-(acetyloxy)-,methyl ester,(3beta); Methyl 3-(acetyloxy)lup-20(29)-en-28-oate (3beta);
| Molecular Formula | C33H52O4 |
|---|---|
| Molecular Weight | 512.39 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.38654 |
| Heavy Atoms | 37 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 4356-30-3 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OC |
| InChIKey | FBSVHROTXUJUHS-UHFFFAOYSA-N |
Product Overview
Methyl-3b-acetoxybetulinate (CAS 4356-30-3), with molecular formula C33H52O4 and molecular weight 512.39 g/mol. IUPAC: methyl 9-acetyloxy-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]chrysene-3a-carboxylate.
Chemical Property Profile of Methyl-3b-acetoxybetulinate
Property Insights of Methyl-3b-acetoxybetulinate
The XLogP value of 9.1 indicates that Methyl-3b-acetoxybetulinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl-3b-acetoxybetulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-3b-acetoxybetulinate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl-3b-acetoxybetulinate?
The CAS number of Methyl-3b-acetoxybetulinate is 4356-30-3.
What is the molecular formula of Methyl-3b-acetoxybetulinate?
The molecular formula of Methyl-3b-acetoxybetulinate is C33H52O4.
What is the molecular weight of Methyl-3b-acetoxybetulinate?
The molecular weight of Methyl-3b-acetoxybetulinate is 512.39 g/mol.
Where can I buy Methyl-3b-acetoxybetulinate?
You can request a quote for Methyl-3b-acetoxybetulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-3b-acetoxybetulinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-3b-acetoxybetulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.