UPCMLD0ENAT5379054:001
TL;DR: UPCMLD0ENAT5379054:001 (CAS 854138-47-9) is a chemical compound with molecular formula C24H27N5OS and molecular weight 433.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
Also Known As: UPCMLD0ENAT5379054:001, 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide, 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide, 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)acetamide
| Molecular Formula | C24H27N5OS |
|---|---|
| Molecular Weight | 433.19 g/mol |
| LogP | 4.69772 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.19363 |
| Heavy Atoms | 31 |
| Complexity | 1096.4935 |
Chemical Identifiers
| CAS Number | 854138-47-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NC(C)(C#N)C(C)C |
Product Overview
UPCMLD0ENAT5379054:001 (CAS 854138-47-9), with molecular formula C24H27N5OS and molecular weight 433.19 g/mol. IUPAC: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide.
Chemical Property Profile of UPCMLD0ENAT5379054:001
Property Insights of UPCMLD0ENAT5379054:001
The XLogP value of 4.69772 indicates that UPCMLD0ENAT5379054:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5379054:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5379054:001 has 1 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 UPCMLD0ENAT5379054:001?
The CAS number of UPCMLD0ENAT5379054:001 is 854138-47-9.
What is the molecular formula of UPCMLD0ENAT5379054:001?
The molecular formula of UPCMLD0ENAT5379054:001 is C24H27N5OS.
What is the molecular weight of UPCMLD0ENAT5379054:001?
The molecular weight of UPCMLD0ENAT5379054:001 is 433.19 g/mol.
Where can I buy UPCMLD0ENAT5379054:001?
You can request a quote for UPCMLD0ENAT5379054:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5379054:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5379054:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.