(3beta)-Stigmast-5-en-3-yl benzoate
TL;DR: (3beta)-Stigmast-5-en-3-yl benzoate (CAS 1900-52-3) is a chemical compound with molecular formula C36H54O2 and molecular weight 518.41 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-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: (3beta)-Stigmast-5-en-3-yl benzoate, stigmast-5-en-3-yl benzoate, Stigmast-5-en-3beta-ol benzoate, Stigmast-5-en-3beta-yl benzoate, (3
| Molecular Formula | C36H54O2 |
|---|---|
| Molecular Weight | 518.41 g/mol |
| LogP | 11.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.41235 |
| Heavy Atoms | 38 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 1900-52-3 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C)C(C)C |
| InChIKey | WFQRUMHMFCGSRO-XKKOIZAZSA-N |
Product Overview
(3beta)-Stigmast-5-en-3-yl benzoate (CAS 1900-52-3), with molecular formula C36H54O2 and molecular weight 518.41 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of (3beta)-Stigmast-5-en-3-yl benzoate
Property Insights of (3beta)-Stigmast-5-en-3-yl benzoate
The XLogP value of 11.6 indicates that (3beta)-Stigmast-5-en-3-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (3beta)-Stigmast-5-en-3-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta)-Stigmast-5-en-3-yl benzoate has 0 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 (3beta)-Stigmast-5-en-3-yl benzoate?
The CAS number of (3beta)-Stigmast-5-en-3-yl benzoate is 1900-52-3.
What is the molecular formula of (3beta)-Stigmast-5-en-3-yl benzoate?
The molecular formula of (3beta)-Stigmast-5-en-3-yl benzoate is C36H54O2.
What is the molecular weight of (3beta)-Stigmast-5-en-3-yl benzoate?
The molecular weight of (3beta)-Stigmast-5-en-3-yl benzoate is 518.41 g/mol.
Where can I buy (3beta)-Stigmast-5-en-3-yl benzoate?
You can request a quote for (3beta)-Stigmast-5-en-3-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta)-Stigmast-5-en-3-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3beta)-Stigmast-5-en-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.