RefChem:448504
TL;DR: RefChem:448504 (CAS 477331-20-7) is a chemical compound with molecular formula C23H20BrN5O2S and molecular weight 509.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: SALOR-INT L244686-1EA, 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide, 2-{[4-(4-bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide, 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C23H20BrN5O2S |
|---|---|
| Molecular Weight | 509.05 g/mol |
| LogP | 5.2213 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.05212 |
| Heavy Atoms | 32 |
| Complexity | 1181.5045 |
Chemical Identifiers
| CAS Number | 477331-20-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4 |
Product Overview
RefChem:448504 (CAS 477331-20-7), with molecular formula C23H20BrN5O2S and molecular weight 509.05 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of RefChem:448504
Property Insights of RefChem:448504
The XLogP value of 5.2213 indicates that RefChem:448504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448504. Following Lipinski's Rule of Five, RefChem:448504 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448504?
The CAS number of RefChem:448504 is 477331-20-7.
What is the molecular formula of RefChem:448504?
The molecular formula of RefChem:448504 is C23H20BrN5O2S.
What is the molecular weight of RefChem:448504?
The molecular weight of RefChem:448504 is 509.05 g/mol.
Where can I buy RefChem:448504?
You can request a quote for RefChem:448504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448504?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.