UPCMLD0ENAT0501-2570:001
TL;DR: UPCMLD0ENAT0501-2570:001 (CAS 303227-82-9) is a chemical compound with molecular formula C17H22N4O3S and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: UPCMLD0ENAT0501-2570:001, 6-tert-butyl-4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one, 6-tert-butyl-4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one, 6-tert-butyl-4-[(3,4-dimethoxybenzylidene)amino]-3-(methylthio)-1,2,4-triazin-5(4H)-one, (E)-6-(tert-butyl)-4-((3,4-dimethoxybenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one
| Molecular Formula | C17H22N4O3S |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 2.5571 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.14127 |
| Heavy Atoms | 25 |
| Complexity | 840.7622 |
Chemical Identifiers
| CAS Number | 303227-82-9 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N(C1=O)/N=C/C2=CC(=C(C=C2)OC)OC)SC |
Product Overview
UPCMLD0ENAT0501-2570:001 (CAS 303227-82-9), with molecular formula C17H22N4O3S and molecular weight 362.14 g/mol. IUPAC: 6-tert-butyl-4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of UPCMLD0ENAT0501-2570:001
Property Insights of UPCMLD0ENAT0501-2570:001
The XLogP value of 2.5571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT0501-2570:001. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0501-2570:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0501-2570:001 has 0 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT0501-2570:001?
The CAS number of UPCMLD0ENAT0501-2570:001 is 303227-82-9.
What is the molecular formula of UPCMLD0ENAT0501-2570:001?
The molecular formula of UPCMLD0ENAT0501-2570:001 is C17H22N4O3S.
What is the molecular weight of UPCMLD0ENAT0501-2570:001?
The molecular weight of UPCMLD0ENAT0501-2570:001 is 362.14 g/mol.
Where can I buy UPCMLD0ENAT0501-2570:001?
You can request a quote for UPCMLD0ENAT0501-2570:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0501-2570:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0501-2570:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.