UPCMLD0ENAT0501-2564:001
TL;DR: UPCMLD0ENAT0501-2564:001 (CAS 57057-64-4) is a chemical compound with molecular formula C15H17ClN4OS and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-[(E)-(4-chlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: UPCMLD0ENAT0501-2564:001, 4-[(1E)-2-(4-chlorophenyl)-1-azavinyl]-6-(tert-butyl)-3-methylthio-1,2,4-triaz in-5-one, 6-tert-Butyl-4-[(4-chloro-benzylidene)-amino]-3-methylsulfanyl-4H-[1,2,4]triazin-5-one, (E)-6-(tert-butyl)-4-((4-chlorobenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one, 6-tert-butyl-4-[(E)-(4-chlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
| Molecular Formula | C15H17ClN4OS |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 3.1933 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.08115 |
| Heavy Atoms | 22 |
| Complexity | 747.6183 |
Chemical Identifiers
| CAS Number | 57057-64-4 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N(C1=O)/N=C/C2=CC=C(C=C2)Cl)SC |
Product Overview
UPCMLD0ENAT0501-2564:001 (CAS 57057-64-4), with molecular formula C15H17ClN4OS and molecular weight 336.08 g/mol. IUPAC: 6-tert-butyl-4-[(E)-(4-chlorophenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of UPCMLD0ENAT0501-2564:001
Property Insights of UPCMLD0ENAT0501-2564:001
The XLogP value of 3.1933 indicates that UPCMLD0ENAT0501-2564:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.14 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0501-2564:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0501-2564:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT0501-2564:001?
The CAS number of UPCMLD0ENAT0501-2564:001 is 57057-64-4.
What is the molecular formula of UPCMLD0ENAT0501-2564:001?
The molecular formula of UPCMLD0ENAT0501-2564:001 is C15H17ClN4OS.
What is the molecular weight of UPCMLD0ENAT0501-2564:001?
The molecular weight of UPCMLD0ENAT0501-2564:001 is 336.08 g/mol.
Where can I buy UPCMLD0ENAT0501-2564:001?
You can request a quote for UPCMLD0ENAT0501-2564:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0501-2564:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0501-2564:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.