UPCMLD0ENAT0506-4464:001
TL;DR: UPCMLD0ENAT0506-4464:001 (CAS 380191-88-8) is a chemical compound with molecular formula C23H17F3N4OS2 and molecular weight 486.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
Also Known As: UPCMLD0ENAT0506-4464:001, AF-399/15128331, 1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone, 1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethanone, 1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl}-2-(4-hydro-1,2,4-tri azolo[3,4-b]benzothiazol-3-ylthio)ethan-1-one
| Molecular Formula | C23H17F3N4OS2 |
|---|---|
| Molecular Weight | 486.08 g/mol |
| LogP | 6.34534 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.0796 |
| Heavy Atoms | 33 |
| Complexity | 1513.506 |
Chemical Identifiers
| CAS Number | 380191-88-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
UPCMLD0ENAT0506-4464:001 (CAS 380191-88-8), with molecular formula C23H17F3N4OS2 and molecular weight 486.08 g/mol. IUPAC: 1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.
Chemical Property Profile of UPCMLD0ENAT0506-4464:001
Property Insights of UPCMLD0ENAT0506-4464:001
The XLogP value of 6.34534 indicates that UPCMLD0ENAT0506-4464:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, UPCMLD0ENAT0506-4464:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0506-4464:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0506-4464:001?
The CAS number of UPCMLD0ENAT0506-4464:001 is 380191-88-8.
What is the molecular formula of UPCMLD0ENAT0506-4464:001?
The molecular formula of UPCMLD0ENAT0506-4464:001 is C23H17F3N4OS2.
What is the molecular weight of UPCMLD0ENAT0506-4464:001?
The molecular weight of UPCMLD0ENAT0506-4464:001 is 486.08 g/mol.
Where can I buy UPCMLD0ENAT0506-4464:001?
You can request a quote for UPCMLD0ENAT0506-4464:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0506-4464:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0506-4464:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.