Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-
TL;DR: Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- (CAS 99223-95-7) is a chemical compound with molecular formula C32H40INO4 and molecular weight 633.20 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-hydroxy-3-(131I)iodophenyl)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: Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-, 14-Hydroxy-3-({2-[4-hydroxy-3-(~131~I)iodophenyl]ethyl}amino)bufa-4,20,22-trienolide, 14-Hydroxy-3beta-({2-[4-hydroxy-3-(~131~I)iodophenyl]ethyl}amino)bufa-4,20,22-trienolide, 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxy-3-iodanylphenyl)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 | C32H40INO4 |
|---|---|
| Molecular Weight | 633.20 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 633.20184 |
| Heavy Atoms | 38 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 99223-95-7 |
|---|---|
| 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)[131I] |
| InChIKey | ZIDQLXLVTVUJLH-RKWLIZACSA-N |
Product Overview
Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- (CAS 99223-95-7), with molecular formula C32H40INO4 and molecular weight 633.20 g/mol. IUPAC: 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxy-3-(131I)iodophenyl)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 Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-
Property Insights of Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-
The XLogP value of 5.5 indicates that Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- 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 Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-. Following Lipinski's Rule of Five, Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- 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 Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-?
The CAS number of Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- is 99223-95-7.
What is the molecular formula of Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-?
The molecular formula of Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- is C32H40INO4.
What is the molecular weight of Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-?
The molecular weight of Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- is 633.20 g/mol.
Where can I buy Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-?
You can request a quote for Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-?
Yes, KEHONG BIO provides custom synthesis services for Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.