Hennadiol
TL;DR: Hennadiol (CAS 20065-99-0) 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.
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-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: Hennadiol, 29-hydroxylupeol, 30-Hydroxylupeol, 9554AF, Lup-20(30)-ene-3beta,29-diol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 8.6 |
| 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 | 20065-99-0 |
|---|---|
| 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)CO |
| InChIKey | ZNUAKACHFYTNFX-QGTGJCAVSA-N |
Product Overview
Hennadiol (CAS 20065-99-0), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-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 Hennadiol
Property Insights of Hennadiol
The XLogP value of 8.6 indicates that Hennadiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Hennadiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hennadiol 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 Hennadiol?
The CAS number of Hennadiol is 20065-99-0.
What is the molecular formula of Hennadiol?
The molecular formula of Hennadiol is C30H50O2.
What is the molecular weight of Hennadiol?
The molecular weight of Hennadiol is 442.38 g/mol.
Where can I buy Hennadiol?
You can request a quote for Hennadiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hennadiol?
Yes, KEHONG BIO provides custom synthesis services for Hennadiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.