AND041
TL;DR: AND041 (CAS 17291-35-9) is a chemical compound with molecular formula C26H36O4S and molecular weight 444.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate
Also Known As: AND041, 5alpha-androstan-17beta-ol-3-one p-toluenesulphonate, 3-Oxo-5alpha-androstan-17beta-yl 4-methylbenzene-1-sulfonate, 5.alpha.-Androstan-3-one, 17.beta.-hydroxy-, p-toluenesulfonate, [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate
| Molecular Formula | C26H36O4S |
|---|---|
| Molecular Weight | 444.23 g/mol |
| LogP | 5.68072 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.23343 |
| Heavy Atoms | 31 |
| Complexity | 967.62604 |
Chemical Identifiers
| CAS Number | 17291-35-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)C5)C)C |
Product Overview
AND041 (CAS 17291-35-9), with molecular formula C26H36O4S and molecular weight 444.23 g/mol. IUPAC: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of AND041
Property Insights of AND041
The XLogP value of 5.68072 indicates that AND041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AND041. Following Lipinski's Rule of Five, AND041 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 AND041?
The CAS number of AND041 is 17291-35-9.
What is the molecular formula of AND041?
The molecular formula of AND041 is C26H36O4S.
What is the molecular weight of AND041?
The molecular weight of AND041 is 444.23 g/mol.
Where can I buy AND041?
You can request a quote for AND041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AND041?
Yes, KEHONG BIO provides custom synthesis services for AND041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.