methyl betulonate
TL;DR: methyl betulonate (CAS 4461-15-8) is a chemical compound with molecular formula C31H48O3 and molecular weight 468.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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-carboxylate
Also Known As: methyl betulonate, Betulonic acid methyl ester, methyl 3-oxolup-20(29)-en-28-oate, betulonic acid 28-O-methyl ester, BAS 01279914
| Molecular Formula | C31H48O3 |
|---|---|
| Molecular Weight | 468.36 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.36035 |
| Heavy Atoms | 34 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 4461-15-8 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)OC |
| InChIKey | XXCPTCZYFSRIGU-UHFFFAOYSA-N |
Product Overview
methyl betulonate (CAS 4461-15-8), with molecular formula C31H48O3 and molecular weight 468.36 g/mol. IUPAC: methyl 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-carboxylate.
Chemical Property Profile of methyl betulonate
Property Insights of methyl betulonate
The XLogP value of 8.2 indicates that methyl betulonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, methyl betulonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl betulonate has 0 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 methyl betulonate?
The CAS number of methyl betulonate is 4461-15-8.
What is the molecular formula of methyl betulonate?
The molecular formula of methyl betulonate is C31H48O3.
What is the molecular weight of methyl betulonate?
The molecular weight of methyl betulonate is 468.36 g/mol.
Where can I buy methyl betulonate?
You can request a quote for methyl betulonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl betulonate?
Yes, KEHONG BIO provides custom synthesis services for methyl betulonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.