Lupene triol
TL;DR: Lupene triol (CAS 61229-18-3) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 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]chrysene-4,9-diol
Also Known As: Heliantriol B2, LUPENE TRIOL, HELIANTRIOLB2, Lup-20(29)-ene-3,16,28-triol, NCI60_002454
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 819.0 |
Chemical Identifiers
| CAS Number | 61229-18-3 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO |
| InChIKey | TWKNDDJHVQUEJF-UHFFFAOYSA-N |
Product Overview
Lupene triol (CAS 61229-18-3), with molecular formula C30H50O3 and molecular weight 458.38 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]chrysene-4,9-diol.
Chemical Property Profile of Lupene triol
Property Insights of Lupene triol
The XLogP value of 7.7 indicates that Lupene triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Lupene triol. Following Lipinski's Rule of Five, Lupene triol has 3 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 Lupene triol?
The CAS number of Lupene triol is 61229-18-3.
What is the molecular formula of Lupene triol?
The molecular formula of Lupene triol is C30H50O3.
What is the molecular weight of Lupene triol?
The molecular weight of Lupene triol is 458.38 g/mol.
Where can I buy Lupene triol?
You can request a quote for Lupene triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupene triol?
Yes, KEHONG BIO provides custom synthesis services for Lupene triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.