Lupan-3beta,20-diol
TL;DR: Lupan-3beta,20-diol (CAS 7788-20-7) is a chemical compound with molecular formula C30H52O2 and molecular weight 444.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Also Known As: lupan-3beta,20-diol, Monogynol A, Monoginol A, 3beta,20-dihydroxylupane, 3,20-dihydroxylupane
| Molecular Formula | C30H52O2 |
|---|---|
| Molecular Weight | 444.40 g/mol |
| LogP | 7.2196 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 444.39673 |
| Heavy Atoms | 32 |
| Complexity | 765.2835 |
Chemical Identifiers
| CAS Number | 7788-20-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O |
Product Overview
Lupan-3beta,20-diol (CAS 7788-20-7), with molecular formula C30H52O2 and molecular weight 444.40 g/mol. IUPAC: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-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 Lupan-3beta,20-diol
Property Insights of Lupan-3beta,20-diol
The XLogP value of 7.2196 indicates that Lupan-3beta,20-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Lupan-3beta,20-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lupan-3beta,20-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 Lupan-3beta,20-diol?
The CAS number of Lupan-3beta,20-diol is 7788-20-7.
What is the molecular formula of Lupan-3beta,20-diol?
The molecular formula of Lupan-3beta,20-diol is C30H52O2.
What is the molecular weight of Lupan-3beta,20-diol?
The molecular weight of Lupan-3beta,20-diol is 444.40 g/mol.
Where can I buy Lupan-3beta,20-diol?
You can request a quote for Lupan-3beta,20-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupan-3beta,20-diol?
Yes, KEHONG BIO provides custom synthesis services for Lupan-3beta,20-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.