AN-023/42399411
TL;DR: AN-023/42399411 (CAS 702649-80-7) is a chemical compound with molecular formula C20H18N4OS3 and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
Also Known As: AN-023/42399411, 2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide, 2-{[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-thienylmethyl)acetamide, 2-{[4-phenyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(thiophen-2-ylmethyl)acetamide
| Molecular Formula | C20H18N4OS3 |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 4.3896 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.06427 |
| Heavy Atoms | 28 |
| Complexity | 1011.36597 |
Chemical Identifiers
| CAS Number | 702649-80-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CS3)CC4=CC=CS4 |
Product Overview
AN-023/42399411 (CAS 702649-80-7), with molecular formula C20H18N4OS3 and molecular weight 426.06 g/mol. IUPAC: 2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
Chemical Property Profile of AN-023/42399411
Property Insights of AN-023/42399411
The XLogP value of 4.3896 indicates that AN-023/42399411 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-023/42399411 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-023/42399411 has 1 hydrogen bond donor(s) and 6 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-023/42399411?
The CAS number of AN-023/42399411 is 702649-80-7.
What is the molecular formula of AN-023/42399411?
The molecular formula of AN-023/42399411 is C20H18N4OS3.
What is the molecular weight of AN-023/42399411?
The molecular weight of AN-023/42399411 is 426.06 g/mol.
Where can I buy AN-023/42399411?
You can request a quote for AN-023/42399411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/42399411?
Yes, KEHONG BIO provides custom synthesis services for AN-023/42399411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.