Azuprostat
TL;DR: Azuprostat (CAS 88876-88-4) is a chemical compound with molecular formula C29H50O and molecular weight 414.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-17-[(5S)-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-ol
Also Known As: Azuprostat, KST-1A8730, (3, A,8xi,9xi,10xi,13xi,14xi,17xi,20xi,24s)-stigmast-5-en-3-ol
| Molecular Formula | C29H50O |
|---|---|
| Molecular Weight | 414.39 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.38617 |
| Heavy Atoms | 30 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 88876-88-4 |
|---|---|
| SMILES | CC[C@@H](CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CC[C@@H](C4)O)C)C)C(C)C |
| InChIKey | KZJWDPNRJALLNS-HFNROMIRSA-N |
Product Overview
Azuprostat (CAS 88876-88-4), with molecular formula C29H50O and molecular weight 414.39 g/mol. IUPAC: (3S)-17-[(5S)-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-ol.
Chemical Property Profile of Azuprostat
Property Insights of Azuprostat
The XLogP value of 9.3 indicates that Azuprostat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Azuprostat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azuprostat has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azuprostat?
The CAS number of Azuprostat is 88876-88-4.
What is the molecular formula of Azuprostat?
The molecular formula of Azuprostat is C29H50O.
What is the molecular weight of Azuprostat?
The molecular weight of Azuprostat is 414.39 g/mol.
Where can I buy Azuprostat?
You can request a quote for Azuprostat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azuprostat?
Yes, KEHONG BIO provides custom synthesis services for Azuprostat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.