Lup-20(29)-ene-3beta,28-diol
TL;DR: Lup-20(29)-ene-3beta,28-diol (CAS 7372-31-8) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a-(hydroxymethyl)-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-9-ol
Also Known As: Betulin, Betuline, Betulinol, Betulol, Trochol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 7372-31-8 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| InChIKey | FVWJYYTZTCVBKE-UHFFFAOYSA-N |
Product Overview
Lup-20(29)-ene-3beta,28-diol (CAS 7372-31-8), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: 3a-(hydroxymethyl)-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-9-ol.
Chemical Property Profile of Lup-20(29)-ene-3beta,28-diol
Property Insights of Lup-20(29)-ene-3beta,28-diol
The XLogP value of 8.3 indicates that Lup-20(29)-ene-3beta,28-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Lup-20(29)-ene-3beta,28-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lup-20(29)-ene-3beta,28-diol has 2 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 Lup-20(29)-ene-3beta,28-diol?
The CAS number of Lup-20(29)-ene-3beta,28-diol is 7372-31-8.
What is the molecular formula of Lup-20(29)-ene-3beta,28-diol?
The molecular formula of Lup-20(29)-ene-3beta,28-diol is C30H50O2.
What is the molecular weight of Lup-20(29)-ene-3beta,28-diol?
The molecular weight of Lup-20(29)-ene-3beta,28-diol is 442.38 g/mol.
Where can I buy Lup-20(29)-ene-3beta,28-diol?
You can request a quote for Lup-20(29)-ene-3beta,28-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lup-20(29)-ene-3beta,28-diol?
Yes, KEHONG BIO provides custom synthesis services for Lup-20(29)-ene-3beta,28-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.