RefChem:448521
TL;DR: RefChem:448521 (CAS 477330-05-5) is a chemical compound with molecular formula C22H17BrClN5O2S and molecular weight 529.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Also Known As: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide, 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide, 2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide, 2-((4-(4-BROMOPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE, 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
| Molecular Formula | C22H17BrClN5O2S |
|---|---|
| Molecular Weight | 529.00 g/mol |
| LogP | 5.4846 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.9975 |
| Heavy Atoms | 32 |
| Complexity | 1235.0671 |
Chemical Identifiers
| CAS Number | 477330-05-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)Cl |
Product Overview
RefChem:448521 (CAS 477330-05-5), with molecular formula C22H17BrClN5O2S and molecular weight 529.00 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide.
Chemical Property Profile of RefChem:448521
Property Insights of RefChem:448521
The XLogP value of 5.4846 indicates that RefChem:448521 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:448521. Following Lipinski's Rule of Five, RefChem:448521 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:448521?
The CAS number of RefChem:448521 is 477330-05-5.
What is the molecular formula of RefChem:448521?
The molecular formula of RefChem:448521 is C22H17BrClN5O2S.
What is the molecular weight of RefChem:448521?
The molecular weight of RefChem:448521 is 529.00 g/mol.
Where can I buy RefChem:448521?
You can request a quote for RefChem:448521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448521?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.