AN-023/42399337
TL;DR: AN-023/42399337 (CAS 701244-47-5) is a chemical compound with molecular formula C22H20N4OS2 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-023/42399337, N-benzyl-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-benzyl-2-{[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide, N-benzyl-2-(4-phenyl-5-(thiophen-2-ylmethyl)-4h-1,2,4-triazol-3-ylthio)acetamide, N-benzyl-2-{[4-phenyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H20N4OS2 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.3281 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.10785 |
| Heavy Atoms | 29 |
| Complexity | 1047.1378 |
Chemical Identifiers
| CAS Number | 701244-47-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4 |
Product Overview
AN-023/42399337 (CAS 701244-47-5), with molecular formula C22H20N4OS2 and molecular weight 420.11 g/mol. IUPAC: N-benzyl-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-023/42399337
Property Insights of AN-023/42399337
The XLogP value of 4.3281 indicates that AN-023/42399337 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AN-023/42399337 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-023/42399337 has 1 hydrogen bond donor(s) and 5 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-023/42399337?
The CAS number of AN-023/42399337 is 701244-47-5.
What is the molecular formula of AN-023/42399337?
The molecular formula of AN-023/42399337 is C22H20N4OS2.
What is the molecular weight of AN-023/42399337?
The molecular weight of AN-023/42399337 is 420.11 g/mol.
Where can I buy AN-023/42399337?
You can request a quote for AN-023/42399337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/42399337?
Yes, KEHONG BIO provides custom synthesis services for AN-023/42399337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.