A3757/0159287
TL;DR: A3757/0159287 (CAS 727673-74-7) is a chemical compound with molecular formula C21H19F3N8O2S and molecular weight 504.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: A3757/0159287, 2-[[4-Ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-((4-Ethyl-5-((5-phenyl-2H-tetrazol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
| Molecular Formula | C21H19F3N8O2S |
|---|---|
| Molecular Weight | 504.13 g/mol |
| LogP | 3.6292 |
| Topological Polar Surface Area | 112.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.13037 |
| Heavy Atoms | 35 |
| Complexity | 1275.9741 |
Chemical Identifiers
| CAS Number | 727673-74-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CN3N=C(N=N3)C4=CC=CC=C4 |
Product Overview
A3757/0159287 (CAS 727673-74-7), with molecular formula C21H19F3N8O2S and molecular weight 504.13 g/mol. IUPAC: 2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of A3757/0159287
Property Insights of A3757/0159287
The XLogP value of 3.6292 indicates that A3757/0159287 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.64 Ų falls within the moderate polarity range, balancing permeability and solubility for A3757/0159287. Following Lipinski's Rule of Five, A3757/0159287 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3757/0159287?
The CAS number of A3757/0159287 is 727673-74-7.
What is the molecular formula of A3757/0159287?
The molecular formula of A3757/0159287 is C21H19F3N8O2S.
What is the molecular weight of A3757/0159287?
The molecular weight of A3757/0159287 is 504.13 g/mol.
Where can I buy A3757/0159287?
You can request a quote for A3757/0159287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3757/0159287?
Yes, KEHONG BIO provides custom synthesis services for A3757/0159287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.