A1839/0077411
TL;DR: A1839/0077411 (CAS 309936-68-3) is a chemical compound with molecular formula C20H17ClN2O4S2 and molecular weight 448.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: A1839/0077411, (5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-{[5-(4-CHLORO-3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-3-CYCLOHEXYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one, 5-[(5-{4-chloro-3-nitrophenyl}-2-furyl)methylene]-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C20H17ClN2O4S2 |
|---|---|
| Molecular Weight | 448.03 g/mol |
| LogP | 6.0421 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.03183 |
| Heavy Atoms | 29 |
| Complexity | 1027.2385 |
Chemical Identifiers
| CAS Number | 309936-68-3 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])/SC2=S |
Product Overview
A1839/0077411 (CAS 309936-68-3), with molecular formula C20H17ClN2O4S2 and molecular weight 448.03 g/mol. IUPAC: (5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of A1839/0077411
Property Insights of A1839/0077411
The XLogP value of 6.0421 indicates that A1839/0077411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A1839/0077411. Following Lipinski's Rule of Five, A1839/0077411 has 0 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 A1839/0077411?
The CAS number of A1839/0077411 is 309936-68-3.
What is the molecular formula of A1839/0077411?
The molecular formula of A1839/0077411 is C20H17ClN2O4S2.
What is the molecular weight of A1839/0077411?
The molecular weight of A1839/0077411 is 448.03 g/mol.
Where can I buy A1839/0077411?
You can request a quote for A1839/0077411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1839/0077411?
Yes, KEHONG BIO provides custom synthesis services for A1839/0077411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.