5-Stigmastene-3-beta,7-alpha-diol dibenzoate
TL;DR: 5-Stigmastene-3-beta,7-alpha-diol dibenzoate (CAS 56698-81-8) is a chemical compound with molecular formula C43H58O4 and molecular weight 638.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,7S,8S,9S,10R,13R,14S,17R)-7-benzoyloxy-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: 2-Cyclopent-1-enyl-pyridin, 5-Stigmastene-3-beta,7-alpha-diol dibenzoate, Stigmast-5-ene-3,7-diyl dibenzoate, Stigmast-5-ene-3-beta,7-alpha-diol, dibenzoate, Stigmast-5-ene-3beta,7alpha-diol dibenzoate
| Molecular Formula | C43H58O4 |
|---|---|
| Molecular Weight | 638.43 g/mol |
| LogP | 10.725 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 638.43353 |
| Heavy Atoms | 47 |
| Complexity | 1413.7628 |
Chemical Identifiers
| CAS Number | 56698-81-8 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)OC(=O)C6=CC=CC=C6)C)C(C)C |
Product Overview
5-Stigmastene-3-beta,7-alpha-diol dibenzoate (CAS 56698-81-8), with molecular formula C43H58O4 and molecular weight 638.43 g/mol. IUPAC: [(3S,7S,8S,9S,10R,13R,14S,17R)-7-benzoyloxy-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 5-Stigmastene-3-beta,7-alpha-diol dibenzoate
Property Insights of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate
The XLogP value of 10.725 indicates that 5-Stigmastene-3-beta,7-alpha-diol dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Stigmastene-3-beta,7-alpha-diol dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Stigmastene-3-beta,7-alpha-diol dibenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate?
The CAS number of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate is 56698-81-8.
What is the molecular formula of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate?
The molecular formula of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate is C43H58O4.
What is the molecular weight of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate?
The molecular weight of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate is 638.43 g/mol.
Where can I buy 5-Stigmastene-3-beta,7-alpha-diol dibenzoate?
You can request a quote for 5-Stigmastene-3-beta,7-alpha-diol dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Stigmastene-3-beta,7-alpha-diol dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Stigmastene-3-beta,7-alpha-diol dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.