UPCMLD0ENAT0501-3741:001
TL;DR: UPCMLD0ENAT0501-3741:001 (CAS 302934-45-8) is a chemical compound with molecular formula C18H14N2O6S3 and molecular weight 450.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: UPCMLD0ENAT0501-3741:001, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H14N2O6S3 |
|---|---|
| Molecular Weight | 450.00 g/mol |
| LogP | 3.2431 |
| Topological Polar Surface Area | 110.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.0014 |
| Heavy Atoms | 29 |
| Complexity | 1167.764 |
Chemical Identifiers
| CAS Number | 302934-45-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/SC2=S |
Product Overview
UPCMLD0ENAT0501-3741:001 (CAS 302934-45-8), with molecular formula C18H14N2O6S3 and molecular weight 450.00 g/mol. IUPAC: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0501-3741:001
Property Insights of UPCMLD0ENAT0501-3741:001
The XLogP value of 3.2431 indicates that UPCMLD0ENAT0501-3741:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.73 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0501-3741:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0501-3741:001 has 0 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT0501-3741:001?
The CAS number of UPCMLD0ENAT0501-3741:001 is 302934-45-8.
What is the molecular formula of UPCMLD0ENAT0501-3741:001?
The molecular formula of UPCMLD0ENAT0501-3741:001 is C18H14N2O6S3.
What is the molecular weight of UPCMLD0ENAT0501-3741:001?
The molecular weight of UPCMLD0ENAT0501-3741:001 is 450.00 g/mol.
Where can I buy UPCMLD0ENAT0501-3741:001?
You can request a quote for UPCMLD0ENAT0501-3741:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0501-3741:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0501-3741:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.