AN-584/43493880
TL;DR: AN-584/43493880 (CAS 831252-52-9) is a chemical compound with molecular formula C21H19N5O5S and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
Also Known As: AN-584/43493880, 2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide, 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
| Molecular Formula | C21H19N5O5S |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 4.18432 |
| Topological Polar Surface Area | 125.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.1107 |
| Heavy Atoms | 32 |
| Complexity | 1329.6166 |
Chemical Identifiers
| CAS Number | 831252-52-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC)[N+](=O)[O-] |
Product Overview
AN-584/43493880 (CAS 831252-52-9), with molecular formula C21H19N5O5S and molecular weight 453.11 g/mol. IUPAC: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide.
Chemical Property Profile of AN-584/43493880
Property Insights of AN-584/43493880
The XLogP value of 4.18432 indicates that AN-584/43493880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-584/43493880. Following Lipinski's Rule of Five, AN-584/43493880 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-584/43493880?
The CAS number of AN-584/43493880 is 831252-52-9.
What is the molecular formula of AN-584/43493880?
The molecular formula of AN-584/43493880 is C21H19N5O5S.
What is the molecular weight of AN-584/43493880?
The molecular weight of AN-584/43493880 is 453.11 g/mol.
Where can I buy AN-584/43493880?
You can request a quote for AN-584/43493880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-584/43493880?
Yes, KEHONG BIO provides custom synthesis services for AN-584/43493880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.