RefChem:448498
TL;DR: RefChem:448498 (CAS 477330-88-4) is a chemical compound with molecular formula C23H20BrN5O3S and molecular weight 525.05 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-(3,5-dimethoxyphenyl)acetamide
Also Known As: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide, 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide, 2-{[4-(4-bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide, 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3,5-dimethoxyphenyl)acetamide
| Molecular Formula | C23H20BrN5O3S |
|---|---|
| Molecular Weight | 525.05 g/mol |
| LogP | 4.8398 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.047 |
| Heavy Atoms | 33 |
| Complexity | 1226.7039 |
Chemical Identifiers
| CAS Number | 477330-88-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)OC |
Product Overview
RefChem:448498 (CAS 477330-88-4), with molecular formula C23H20BrN5O3S and molecular weight 525.05 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide.
Chemical Property Profile of RefChem:448498
Property Insights of RefChem:448498
The XLogP value of 4.8398 indicates that RefChem:448498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448498. Following Lipinski's Rule of Five, RefChem:448498 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448498?
The CAS number of RefChem:448498 is 477330-88-4.
What is the molecular formula of RefChem:448498?
The molecular formula of RefChem:448498 is C23H20BrN5O3S.
What is the molecular weight of RefChem:448498?
The molecular weight of RefChem:448498 is 525.05 g/mol.
Where can I buy RefChem:448498?
You can request a quote for RefChem:448498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448498?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.