Esaft
TL;DR: Esaft (CAS 78232-36-7) is a chemical compound with molecular formula C49H53N3O9S and molecular weight 859.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 4-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexylamino]-4-oxobutanoate
Also Known As: ESAFT, N-(Estradiol-17beta-succinylaminohexyl)-N'-fluoresceinyl-thiourea, [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 4-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexylamino]-4-oxobutanoate, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(4-((6-((((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)amino)hexyl)amino)-4-oxobutanoate), N-[6-({[(3',6'-Dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-5-yl)amino](sulfanyl)methylidene}amino)hexyl]-4-{[3-hydroxyestra-1(10),2,4-trien-17beta-yl]oxy}-4-oxobutanimidic acid
| Molecular Formula | C49H53N3O9S |
|---|---|
| Molecular Weight | 859.35 g/mol |
| LogP | 8.5827 |
| Topological Polar Surface Area | 175.68 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 859.3503 |
| Heavy Atoms | 62 |
| Complexity | 2385.913 |
Chemical Identifiers
| CAS Number | 78232-36-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=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=C3C=CC(=C9)O |
Product Overview
Esaft (CAS 78232-36-7), with molecular formula C49H53N3O9S and molecular weight 859.35 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 4-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexylamino]-4-oxobutanoate.
Chemical Property Profile of Esaft
Property Insights of Esaft
The XLogP value of 8.5827 indicates that Esaft is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.68 Ų indicates high polarity, suggesting Esaft may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Esaft 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 Esaft?
The CAS number of Esaft is 78232-36-7.
What is the molecular formula of Esaft?
The molecular formula of Esaft is C49H53N3O9S.
What is the molecular weight of Esaft?
The molecular weight of Esaft is 859.35 g/mol.
Where can I buy Esaft?
You can request a quote for Esaft directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esaft?
Yes, KEHONG BIO provides custom synthesis services for Esaft and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.