LUPEOL BENZOATE
TL;DR: LUPEOL BENZOATE (CAS 1617-69-2) is a chemical compound with molecular formula C37H54O2 and molecular weight 530.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3a,5a,5b,8,8,11a-hexamethyl-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) benzoate
Also Known As: LUPEOL BENZOATE, Lupeol benzoate [MI], 3-O-Benzoyl-beta-lupeol, Lup-20(29)-en-3beta-ol, benzoate, Lup-20(30)-en-3beta-ol, benzoate
| Molecular Formula | C37H54O2 |
|---|---|
| Molecular Weight | 530.41 g/mol |
| LogP | 9.8895 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 530.41235 |
| Heavy Atoms | 39 |
| Complexity | 1135.3331 |
Chemical Identifiers
| CAS Number | 1617-69-2 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6)C)C |
Product Overview
LUPEOL BENZOATE (CAS 1617-69-2), with molecular formula C37H54O2 and molecular weight 530.41 g/mol. IUPAC: (3a,5a,5b,8,8,11a-hexamethyl-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) benzoate.
Chemical Property Profile of LUPEOL BENZOATE
Property Insights of LUPEOL BENZOATE
The XLogP value of 9.8895 indicates that LUPEOL BENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, LUPEOL BENZOATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LUPEOL BENZOATE has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LUPEOL BENZOATE?
The CAS number of LUPEOL BENZOATE is 1617-69-2.
What is the molecular formula of LUPEOL BENZOATE?
The molecular formula of LUPEOL BENZOATE is C37H54O2.
What is the molecular weight of LUPEOL BENZOATE?
The molecular weight of LUPEOL BENZOATE is 530.41 g/mol.
Where can I buy LUPEOL BENZOATE?
You can request a quote for LUPEOL BENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LUPEOL BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for LUPEOL BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.