UPCMLD0ENAT5281892:001
TL;DR: UPCMLD0ENAT5281892:001 (CAS 613228-21-0) is a chemical compound with molecular formula C21H15FN2OS3 and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
Also Known As: UPCMLD0ENAT5281892:001, 1-(4-fluorophenyl)-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone, 1-(4-F-PH)-2-((5-((1-NAPHTHYLMETHYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)ETHANONE, 1-(4-fluorophenyl)-2-[5-(naphthylmethylthio)(1,3,4-thiadiazol-2-ylthio)]ethan- 1-one, 1-(4-fluorophenyl)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)ethanone
| Molecular Formula | C21H15FN2OS3 |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 6.0977 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.03305 |
| Heavy Atoms | 28 |
| Complexity | 1106.8068 |
Chemical Identifiers
| CAS Number | 613228-21-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)C4=CC=C(C=C4)F |
Product Overview
UPCMLD0ENAT5281892:001 (CAS 613228-21-0), with molecular formula C21H15FN2OS3 and molecular weight 426.03 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of UPCMLD0ENAT5281892:001
Property Insights of UPCMLD0ENAT5281892:001
The XLogP value of 6.0977 indicates that UPCMLD0ENAT5281892:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, UPCMLD0ENAT5281892:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5281892:001 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 UPCMLD0ENAT5281892:001?
The CAS number of UPCMLD0ENAT5281892:001 is 613228-21-0.
What is the molecular formula of UPCMLD0ENAT5281892:001?
The molecular formula of UPCMLD0ENAT5281892:001 is C21H15FN2OS3.
What is the molecular weight of UPCMLD0ENAT5281892:001?
The molecular weight of UPCMLD0ENAT5281892:001 is 426.03 g/mol.
Where can I buy UPCMLD0ENAT5281892:001?
You can request a quote for UPCMLD0ENAT5281892:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5281892:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5281892:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.