Lupan-3-one
TL;DR: Lupan-3-one (CAS 3186-72-9) is a chemical compound with molecular formula C30H50O and molecular weight 426.39 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-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Also Known As: Lupan-3-one, N-Methylisatin-3-thiosemicarbazone, 3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 3186-72-9 |
|---|---|
| SMILES | CC(C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C |
| InChIKey | HEYPZYMGRBQTOH-UHFFFAOYSA-N |
Product Overview
Lupan-3-one (CAS 3186-72-9), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: 3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one.
Chemical Property Profile of Lupan-3-one
Property Insights of Lupan-3-one
The XLogP value of 9.6 indicates that Lupan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Lupan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lupan-3-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lupan-3-one?
The CAS number of Lupan-3-one is 3186-72-9.
What is the molecular formula of Lupan-3-one?
The molecular formula of Lupan-3-one is C30H50O.
What is the molecular weight of Lupan-3-one?
The molecular weight of Lupan-3-one is 426.39 g/mol.
Where can I buy Lupan-3-one?
You can request a quote for Lupan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupan-3-one?
Yes, KEHONG BIO provides custom synthesis services for Lupan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.