7-Oxo-5-stigmasten-3-beta-ol benzoate
TL;DR: 7-Oxo-5-stigmasten-3-beta-ol benzoate (CAS 59157-67-4) is a chemical compound with molecular formula C36H52O3 and molecular weight 532.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: 7-Oxo-5-stigmasten-3-beta-ol benzoate, 7-Oxostigmast-5-en-3-yl benzoate, 7-oxo-5-stigmasten-3b-ol benzoate, 3beta-(Benzoyloxy)stigmast-5-en-7-one, 3-beta-Hydroxystigmast-5-en-7-one benzoate
| Molecular Formula | C36H52O3 |
|---|---|
| Molecular Weight | 532.39 g/mol |
| LogP | 9.0685 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.39166 |
| Heavy Atoms | 39 |
| Complexity | 1072.0276 |
Chemical Identifiers
| CAS Number | 59157-67-4 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C)C(C)C |
Product Overview
7-Oxo-5-stigmasten-3-beta-ol benzoate (CAS 59157-67-4), with molecular formula C36H52O3 and molecular weight 532.39 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of 7-Oxo-5-stigmasten-3-beta-ol benzoate
Property Insights of 7-Oxo-5-stigmasten-3-beta-ol benzoate
The XLogP value of 9.0685 indicates that 7-Oxo-5-stigmasten-3-beta-ol benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 7-Oxo-5-stigmasten-3-beta-ol benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxo-5-stigmasten-3-beta-ol benzoate has 0 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 7-Oxo-5-stigmasten-3-beta-ol benzoate?
The CAS number of 7-Oxo-5-stigmasten-3-beta-ol benzoate is 59157-67-4.
What is the molecular formula of 7-Oxo-5-stigmasten-3-beta-ol benzoate?
The molecular formula of 7-Oxo-5-stigmasten-3-beta-ol benzoate is C36H52O3.
What is the molecular weight of 7-Oxo-5-stigmasten-3-beta-ol benzoate?
The molecular weight of 7-Oxo-5-stigmasten-3-beta-ol benzoate is 532.39 g/mol.
Where can I buy 7-Oxo-5-stigmasten-3-beta-ol benzoate?
You can request a quote for 7-Oxo-5-stigmasten-3-beta-ol benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxo-5-stigmasten-3-beta-ol benzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxo-5-stigmasten-3-beta-ol benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.