C16H17BrN2O3S2
TL;DR: C16H17BrN2O3S2 (CAS 1322212-61-2) is a chemical compound with molecular formula C16H17BrN2O3S2 and molecular weight 427.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: BAS 00502847, 2-(dimethylamino)ethyl [(5Z)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate, 2-(dimethylamino)ethyl [5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate, (Z)-2-(dimethylamino)ethyl 2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate, 2-(dimethylamino)ethyl 2-{5-[(4-bromophenyl)methylene]-4-oxo-2-thioxo-1,3-thia zolidin-3-yl}acetate
| Molecular Formula | C16H17BrN2O3S2 |
|---|---|
| Molecular Weight | 427.99 g/mol |
| LogP | 2.7551 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.9864 |
| Heavy Atoms | 24 |
| Complexity | 674.405 |
Chemical Identifiers
| CAS Number | 1322212-61-2 |
|---|---|
| SMILES | CN(C)CCOC(=O)CN1C(=O)/C(=C/C2=CC=C(C=C2)Br)/SC1=S |
Product Overview
C16H17BrN2O3S2 (CAS 1322212-61-2), with molecular formula C16H17BrN2O3S2 and molecular weight 427.99 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of C16H17BrN2O3S2
Property Insights of C16H17BrN2O3S2
The XLogP value of 2.7551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H17BrN2O3S2. With a topological polar surface area (TPSA) of 49.85 Ų, C16H17BrN2O3S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H17BrN2O3S2 has 0 hydrogen bond donor(s) and 6 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 C16H17BrN2O3S2?
The CAS number of C16H17BrN2O3S2 is 1322212-61-2.
What is the molecular formula of C16H17BrN2O3S2?
The molecular formula of C16H17BrN2O3S2 is C16H17BrN2O3S2.
What is the molecular weight of C16H17BrN2O3S2?
The molecular weight of C16H17BrN2O3S2 is 427.99 g/mol.
Where can I buy C16H17BrN2O3S2?
You can request a quote for C16H17BrN2O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H17BrN2O3S2?
Yes, KEHONG BIO provides custom synthesis services for C16H17BrN2O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.