F1252-0037
TL;DR: F1252-0037 (CAS 537702-67-3) is a chemical compound with molecular formula C24H20BrN3O2S and molecular weight 493.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
Also Known As: F1252-0037, 2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-bromophenyl)ethanone, 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone, 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one, 2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-bromophenyl)ethan-1-one
| Molecular Formula | C24H20BrN3O2S |
|---|---|
| Molecular Weight | 493.05 g/mol |
| LogP | 5.6429 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.04596 |
| Heavy Atoms | 31 |
| Complexity | 1132.7252 |
Chemical Identifiers
| CAS Number | 537702-67-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)COC4=CC=CC=C4 |
Product Overview
F1252-0037 (CAS 537702-67-3), with molecular formula C24H20BrN3O2S and molecular weight 493.05 g/mol. IUPAC: 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone.
Chemical Property Profile of F1252-0037
Property Insights of F1252-0037
The XLogP value of 5.6429 indicates that F1252-0037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, F1252-0037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1252-0037 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1252-0037?
The CAS number of F1252-0037 is 537702-67-3.
What is the molecular formula of F1252-0037?
The molecular formula of F1252-0037 is C24H20BrN3O2S.
What is the molecular weight of F1252-0037?
The molecular weight of F1252-0037 is 493.05 g/mol.
Where can I buy F1252-0037?
You can request a quote for F1252-0037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1252-0037?
Yes, KEHONG BIO provides custom synthesis services for F1252-0037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.