C13H9Cl2NO3S2
TL;DR: C13H9Cl2NO3S2 (CAS 300377-12-2) is a chemical compound with molecular formula C13H9Cl2NO3S2 and molecular weight 360.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 00664246, BIM-0024765.P001, 3-[(5Z)-5-[(2,4-DICHLOROPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID, jjma``GVrTDQJHTD^BDfYU{Y}YgCN`HFjYjX`H\P, AB00089116-01
| Molecular Formula | C13H9Cl2NO3S2 |
|---|---|
| Molecular Weight | 360.94 g/mol |
| LogP | 3.6693 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.9401 |
| Heavy Atoms | 21 |
| Complexity | 660.8165 |
Chemical Identifiers
| CAS Number | 300377-12-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
C13H9Cl2NO3S2 (CAS 300377-12-2), with molecular formula C13H9Cl2NO3S2 and molecular weight 360.94 g/mol. IUPAC: 3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of C13H9Cl2NO3S2
Property Insights of C13H9Cl2NO3S2
The XLogP value of 3.6693 indicates that C13H9Cl2NO3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, C13H9Cl2NO3S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H9Cl2NO3S2 has 1 hydrogen bond donor(s) and 4 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 C13H9Cl2NO3S2?
The CAS number of C13H9Cl2NO3S2 is 300377-12-2.
What is the molecular formula of C13H9Cl2NO3S2?
The molecular formula of C13H9Cl2NO3S2 is C13H9Cl2NO3S2.
What is the molecular weight of C13H9Cl2NO3S2?
The molecular weight of C13H9Cl2NO3S2 is 360.94 g/mol.
Where can I buy C13H9Cl2NO3S2?
You can request a quote for C13H9Cl2NO3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H9Cl2NO3S2?
Yes, KEHONG BIO provides custom synthesis services for C13H9Cl2NO3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.