UPCMLD0ENAT0513-6099:001
TL;DR: UPCMLD0ENAT0513-6099:001 (CAS 496025-93-5) is a chemical compound with molecular formula C25H20ClFN4OS and molecular weight 478.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Also Known As: UPCMLD0ENAT0513-6099:001, AF-399/40920976, 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone, 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone, 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(5-methyl(10-hydro-1 ,2,4-triazolo[4,3-a]quinolinylthio))ethan-1-one
| Molecular Formula | C25H20ClFN4OS |
|---|---|
| Molecular Weight | 478.10 g/mol |
| LogP | 6.36596 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.10303 |
| Heavy Atoms | 33 |
| Complexity | 1555.6462 |
Chemical Identifiers
| CAS Number | 496025-93-5 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=C(N(C(=C4)C)C5=CC(=C(C=C5)F)Cl)C |
Product Overview
UPCMLD0ENAT0513-6099:001 (CAS 496025-93-5), with molecular formula C25H20ClFN4OS and molecular weight 478.10 g/mol. IUPAC: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.
Chemical Property Profile of UPCMLD0ENAT0513-6099:001
Property Insights of UPCMLD0ENAT0513-6099:001
The XLogP value of 6.36596 indicates that UPCMLD0ENAT0513-6099:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, UPCMLD0ENAT0513-6099:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6099:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-6099:001?
The CAS number of UPCMLD0ENAT0513-6099:001 is 496025-93-5.
What is the molecular formula of UPCMLD0ENAT0513-6099:001?
The molecular formula of UPCMLD0ENAT0513-6099:001 is C25H20ClFN4OS.
What is the molecular weight of UPCMLD0ENAT0513-6099:001?
The molecular weight of UPCMLD0ENAT0513-6099:001 is 478.10 g/mol.
Where can I buy UPCMLD0ENAT0513-6099:001?
You can request a quote for UPCMLD0ENAT0513-6099:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6099:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6099:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.