Cortisol-21-hemisuccinate-aminobutylisoluminol
TL;DR: Cortisol-21-hemisuccinate-aminobutylisoluminol (CAS 80632-50-4) is a chemical compound with molecular formula C37H48N4O9 and molecular weight 692.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]butylamino]-4-oxobutanoate
Also Known As: C21-HS-Abi, Cortisol-21-hemisuccinate-aminobutylisoluminol, [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]butylamino]-4-oxobutanoate, Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(1,4-dioxo-4-((4-((1,2,3,4-tetrahydro-1,4-dioxo-6-phthalazinyl)amino)butyl)amino)butoxy)-, (11beta)-, 4-[(11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-N-{4-[(1,4-dihydroxyphthalazin-6-yl)amino]butyl}-4-oxobutanimidic acid
| Molecular Formula | C37H48N4O9 |
|---|---|
| Molecular Weight | 692.34 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 692.3421 |
| Heavy Atoms | 50 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 80632-50-4 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)NCCCCNC5=CC6=C(C=C5)C(=O)NNC6=O)O)C)O |
| InChIKey | NCVNXZMHSDAIBY-YMHOGYMYSA-N |
Product Overview
Cortisol-21-hemisuccinate-aminobutylisoluminol (CAS 80632-50-4), with molecular formula C37H48N4O9 and molecular weight 692.34 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]butylamino]-4-oxobutanoate.
Chemical Property Profile of Cortisol-21-hemisuccinate-aminobutylisoluminol
Property Insights of Cortisol-21-hemisuccinate-aminobutylisoluminol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cortisol-21-hemisuccinate-aminobutylisoluminol. The TPSA of 200.0 Ų indicates high polarity, suggesting Cortisol-21-hemisuccinate-aminobutylisoluminol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cortisol-21-hemisuccinate-aminobutylisoluminol has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cortisol-21-hemisuccinate-aminobutylisoluminol?
The CAS number of Cortisol-21-hemisuccinate-aminobutylisoluminol is 80632-50-4.
What is the molecular formula of Cortisol-21-hemisuccinate-aminobutylisoluminol?
The molecular formula of Cortisol-21-hemisuccinate-aminobutylisoluminol is C37H48N4O9.
What is the molecular weight of Cortisol-21-hemisuccinate-aminobutylisoluminol?
The molecular weight of Cortisol-21-hemisuccinate-aminobutylisoluminol is 692.34 g/mol.
Where can I buy Cortisol-21-hemisuccinate-aminobutylisoluminol?
You can request a quote for Cortisol-21-hemisuccinate-aminobutylisoluminol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cortisol-21-hemisuccinate-aminobutylisoluminol?
Yes, KEHONG BIO provides custom synthesis services for Cortisol-21-hemisuccinate-aminobutylisoluminol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.