UPCMLD0ENAT5807355:001
TL;DR: UPCMLD0ENAT5807355:001 (CAS 696611-77-5) is a chemical compound with molecular formula C19H17N5OS and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
Also Known As: UPCMLD0ENAT5807355:001, A3579/0151931, 5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole, 5-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole, 5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-3-phenyl-1,2,4-oxadiazole
| Molecular Formula | C19H17N5OS |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 4.13282 |
| Topological Polar Surface Area | 69.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1154 |
| Heavy Atoms | 26 |
| Complexity | 1008.1077 |
Chemical Identifiers
| CAS Number | 696611-77-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC(=NO3)C4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5807355:001 (CAS 696611-77-5), with molecular formula C19H17N5OS and molecular weight 363.12 g/mol. IUPAC: 5-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.
Chemical Property Profile of UPCMLD0ENAT5807355:001
Property Insights of UPCMLD0ENAT5807355:001
The XLogP value of 4.13282 indicates that UPCMLD0ENAT5807355:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.63 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5807355:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5807355:001 has 0 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5807355:001?
The CAS number of UPCMLD0ENAT5807355:001 is 696611-77-5.
What is the molecular formula of UPCMLD0ENAT5807355:001?
The molecular formula of UPCMLD0ENAT5807355:001 is C19H17N5OS.
What is the molecular weight of UPCMLD0ENAT5807355:001?
The molecular weight of UPCMLD0ENAT5807355:001 is 363.12 g/mol.
Where can I buy UPCMLD0ENAT5807355:001?
You can request a quote for UPCMLD0ENAT5807355:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5807355:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5807355:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.