![14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide structure](/static/products/9922/99223-92-4.webp)
14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide
TL;DR: 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide (CAS 99223-92-4) is a chemical compound with molecular formula C32H41NO4 and molecular weight 503.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide, 14-Hydroxy-3beta-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide, Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta)-, 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
| Molecular Formula | C32H41NO4 |
|---|---|
| Molecular Weight | 503.30 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.30356 |
| Heavy Atoms | 37 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 99223-92-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)NCCC6=CC=C(C=C6)O |
| InChIKey | HPHXXHKQRPGXOA-SSBVUJKMSA-N |
Product Overview
14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide (CAS 99223-92-4), with molecular formula C32H41NO4 and molecular weight 503.30 g/mol. IUPAC: 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide
Property Insights of 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide
The XLogP value of 4.8 indicates that 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide. Following Lipinski's Rule of Five, 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide?
The CAS number of 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide is 99223-92-4.
What is the molecular formula of 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide?
The molecular formula of 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide is C32H41NO4.
What is the molecular weight of 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide?
The molecular weight of 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide is 503.30 g/mol.
Where can I buy 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide?
You can request a quote for 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.