Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-
TL;DR: Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- (CAS 99223-90-2) is a chemical compound with molecular formula C31H41NO3 and molecular weight 475.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-, 3-{[2-(4-Hydroxyphenyl)ethyl]amino}carda-14,20(22)-dienolide, 3beta-{[2-(4-Hydroxyphenyl)ethyl]amino}-5beta-carda-14,20(22)-dienolide, 3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 4-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
| Molecular Formula | C31H41NO3 |
|---|---|
| Molecular Weight | 475.31 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.30865 |
| Heavy Atoms | 35 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 99223-90-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@@H]4C5=CC(=O)OC5)C)NCCC6=CC=C(C=C6)O |
| InChIKey | ZAXNNCHASFVMSR-BHWOTCLQSA-N |
Product Overview
Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- (CAS 99223-90-2), with molecular formula C31H41NO3 and molecular weight 475.31 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-
Property Insights of Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-
The XLogP value of 5.9 indicates that Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- has 2 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 Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-?
The CAS number of Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- is 99223-90-2.
What is the molecular formula of Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-?
The molecular formula of Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- is C31H41NO3.
What is the molecular weight of Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-?
The molecular weight of Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- is 475.31 g/mol.
Where can I buy Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-?
You can request a quote for Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-?
Yes, KEHONG BIO provides custom synthesis services for Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.