Estr-4-ene-3,17-dione
TL;DR: Estr-4-ene-3,17-dione (CAS 5972-65-6) is a chemical compound with molecular formula C24H16ClN3O3S2 and molecular weight 493.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
Also Known As: Estr-4-ene-3,17-dione, BIM-0039509.P001, N-(5-chloro-2-methylphenyl)-2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide, N-(5-CHLORO-2-METHYL-PHENYL)-2-[6-(1,3-DIOXOISOINDOL-2-YL)BENZOTHIAZOL-2-YL]SULFANYL-ACETAMIDE, N-(5-Chloro-2-methylphenyl)-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
| Molecular Formula | C24H16ClN3O3S2 |
|---|---|
| Molecular Weight | 493.03 g/mol |
| LogP | 5.78952 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.03217 |
| Heavy Atoms | 33 |
| Complexity | 1415.176 |
Chemical Identifiers
| CAS Number | 5972-65-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O |
Product Overview
Estr-4-ene-3,17-dione (CAS 5972-65-6), with molecular formula C24H16ClN3O3S2 and molecular weight 493.03 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of Estr-4-ene-3,17-dione
Property Insights of Estr-4-ene-3,17-dione
The XLogP value of 5.78952 indicates that Estr-4-ene-3,17-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Estr-4-ene-3,17-dione. Following Lipinski's Rule of Five, Estr-4-ene-3,17-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estr-4-ene-3,17-dione?
The CAS number of Estr-4-ene-3,17-dione is 5972-65-6.
What is the molecular formula of Estr-4-ene-3,17-dione?
The molecular formula of Estr-4-ene-3,17-dione is C24H16ClN3O3S2.
What is the molecular weight of Estr-4-ene-3,17-dione?
The molecular weight of Estr-4-ene-3,17-dione is 493.03 g/mol.
Where can I buy Estr-4-ene-3,17-dione?
You can request a quote for Estr-4-ene-3,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estr-4-ene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for Estr-4-ene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.