Cholest-5-en-3beta-yl p-butoxybenzoate
TL;DR: Cholest-5-en-3beta-yl p-butoxybenzoate (CAS 41484-52-0) is a chemical compound with molecular formula C38H58O3 and molecular weight 562.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-butoxybenzoate
Also Known As: Cholest-5-en-3beta-yl p-butoxybenzoate, EINECS 255-394-9, Cholest-5-en-3-yl 4-butoxybenzoate, BAS 00124352, (8xi,9xi,14xi)-Cholest-5-en-3beta-yl 4-butoxybenzoate
| Molecular Formula | C38H58O3 |
|---|---|
| Molecular Weight | 562.44 g/mol |
| LogP | 10.4323 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 562.4386 |
| Heavy Atoms | 41 |
| Complexity | 1055.785 |
Chemical Identifiers
| CAS Number | 41484-52-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C |
Product Overview
Cholest-5-en-3beta-yl p-butoxybenzoate (CAS 41484-52-0), with molecular formula C38H58O3 and molecular weight 562.44 g/mol. IUPAC: [(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-butoxybenzoate.
Chemical Property Profile of Cholest-5-en-3beta-yl p-butoxybenzoate
Property Insights of Cholest-5-en-3beta-yl p-butoxybenzoate
The XLogP value of 10.4323 indicates that Cholest-5-en-3beta-yl p-butoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Cholest-5-en-3beta-yl p-butoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3beta-yl p-butoxybenzoate 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 Cholest-5-en-3beta-yl p-butoxybenzoate?
The CAS number of Cholest-5-en-3beta-yl p-butoxybenzoate is 41484-52-0.
What is the molecular formula of Cholest-5-en-3beta-yl p-butoxybenzoate?
The molecular formula of Cholest-5-en-3beta-yl p-butoxybenzoate is C38H58O3.
What is the molecular weight of Cholest-5-en-3beta-yl p-butoxybenzoate?
The molecular weight of Cholest-5-en-3beta-yl p-butoxybenzoate is 562.44 g/mol.
Where can I buy Cholest-5-en-3beta-yl p-butoxybenzoate?
You can request a quote for Cholest-5-en-3beta-yl p-butoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-en-3beta-yl p-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3beta-yl p-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.