AF-399/41178826
TL;DR: AF-399/41178826 (CAS 488723-04-2) is a chemical compound with molecular formula C21H16ClN3OS2 and molecular weight 425.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: AF-399/41178826, 2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone, 2-((4-Allyl-5-(3-chlorobenzo[b]thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethan-1-one, 2-((4-allyl-5-(3-chlorobenzo[b]thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
| Molecular Formula | C21H16ClN3OS2 |
|---|---|
| Molecular Weight | 425.04 g/mol |
| LogP | 5.9742 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.04233 |
| Heavy Atoms | 28 |
| Complexity | 1151.1447 |
Chemical Identifiers
| CAS Number | 488723-04-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
AF-399/41178826 (CAS 488723-04-2), with molecular formula C21H16ClN3OS2 and molecular weight 425.04 g/mol. IUPAC: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of AF-399/41178826
Property Insights of AF-399/41178826
The XLogP value of 5.9742 indicates that AF-399/41178826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AF-399/41178826 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41178826 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41178826?
The CAS number of AF-399/41178826 is 488723-04-2.
What is the molecular formula of AF-399/41178826?
The molecular formula of AF-399/41178826 is C21H16ClN3OS2.
What is the molecular weight of AF-399/41178826?
The molecular weight of AF-399/41178826 is 425.04 g/mol.
Where can I buy AF-399/41178826?
You can request a quote for AF-399/41178826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178826?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.