N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea
TL;DR: N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea (CAS 78249-64-6) is a chemical compound with molecular formula C52H59N3O10S and molecular weight 917.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexylamino]-4-oxobutanoate
Also Known As: Cid 3037870, [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexylamino]-4-oxobutanoate, N-(Desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea, Pregn-4-ene-3,20-dione, 21-(4-((6-((((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)amino)hexyl)amino)-1,4-dioxobutoxy)-
| Molecular Formula | C52H59N3O10S |
|---|---|
| Molecular Weight | 917.39 g/mol |
| LogP | 8.6694 |
| Topological Polar Surface Area | 189.59 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 917.3921 |
| Heavy Atoms | 66 |
| Complexity | 2468.7449 |
Chemical Identifiers
| CAS Number | 78249-64-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)NCCCCCCNC(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)CCC9=CC(=O)CC[C@]39C |
Product Overview
N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea (CAS 78249-64-6), with molecular formula C52H59N3O10S and molecular weight 917.39 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexylamino]-4-oxobutanoate.
Chemical Property Profile of N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea
Property Insights of N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea
The XLogP value of 8.6694 indicates that N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.59 Ų indicates high polarity, suggesting N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea?
The CAS number of N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea is 78249-64-6.
What is the molecular formula of N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea?
The molecular formula of N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea is C52H59N3O10S.
What is the molecular weight of N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea?
The molecular weight of N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea is 917.39 g/mol.
Where can I buy N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea?
You can request a quote for N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(desoxycorticosterone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.