A1997/0083859
TL;DR: A1997/0083859 (CAS 337919-87-6) is a chemical compound with molecular formula C14H13BrN2O3S2 and molecular weight 399.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: A1997/0083859, 5-[[3-Bromo-4-(dimethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid, (5-{[3-BROMO-4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL)ACETIC ACID, 2-[5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C14H13BrN2O3S2 |
|---|---|
| Molecular Weight | 399.96 g/mol |
| LogP | 2.8009 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.9551 |
| Heavy Atoms | 22 |
| Complexity | 688.6656 |
Chemical Identifiers
| CAS Number | 337919-87-6 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)Br |
Product Overview
A1997/0083859 (CAS 337919-87-6), with molecular formula C14H13BrN2O3S2 and molecular weight 399.96 g/mol. IUPAC: 2-[5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of A1997/0083859
Property Insights of A1997/0083859
The XLogP value of 2.8009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1997/0083859. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for A1997/0083859. Following Lipinski's Rule of Five, A1997/0083859 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1997/0083859?
The CAS number of A1997/0083859 is 337919-87-6.
What is the molecular formula of A1997/0083859?
The molecular formula of A1997/0083859 is C14H13BrN2O3S2.
What is the molecular weight of A1997/0083859?
The molecular weight of A1997/0083859 is 399.96 g/mol.
Where can I buy A1997/0083859?
You can request a quote for A1997/0083859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1997/0083859?
Yes, KEHONG BIO provides custom synthesis services for A1997/0083859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.