Missouriensin
TL;DR: Missouriensin (CAS 110913-60-5) is a chemical compound with molecular formula C32H52O3 and molecular weight 484.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,3aR,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bR)-3-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-yl] acetate
Also Known As: missouriensin, 21-Hydroxyhop-22(29)-en-6-yl acetate, 21-Hydroxyhop-22(29)-en-6alpha-yl acetate, [(3R,3aR,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bR)-3-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-yl] acetate
| Molecular Formula | C32H52O3 |
|---|---|
| Molecular Weight | 484.39 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.39163 |
| Heavy Atoms | 35 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 110913-60-5 |
|---|---|
| SMILES | CC(=C)[C@]1(CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CCCC5(C)C)C)OC(=O)C)C)C)C)O |
| InChIKey | PDFGAGAGDJZCGY-FAWJNCFKSA-N |
Product Overview
Missouriensin (CAS 110913-60-5), with molecular formula C32H52O3 and molecular weight 484.39 g/mol. IUPAC: [(3R,3aR,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bR)-3-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-yl] acetate.
Chemical Property Profile of Missouriensin
Property Insights of Missouriensin
The XLogP value of 9.0 indicates that Missouriensin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Missouriensin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Missouriensin has 1 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 Missouriensin?
The CAS number of Missouriensin is 110913-60-5.
What is the molecular formula of Missouriensin?
The molecular formula of Missouriensin is C32H52O3.
What is the molecular weight of Missouriensin?
The molecular weight of Missouriensin is 484.39 g/mol.
Where can I buy Missouriensin?
You can request a quote for Missouriensin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Missouriensin?
Yes, KEHONG BIO provides custom synthesis services for Missouriensin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.