AF-399/14216012
TL;DR: AF-399/14216012 (CAS 326007-70-9) is a chemical compound with molecular formula C27H19ClN4O2S2 and molecular weight 530.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione
Also Known As: AF-399/14216012, 2-(3-{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-isoindole-1,3(2H)-dione, 2-(3-((5-(3-chlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propyl)isoindoline-1,3-dione, 2-(3-{[5-(3-chloro-1-benzothien-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-isoindole-1,3(2H)-dione, 2-[3-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione
| Molecular Formula | C27H19ClN4O2S2 |
|---|---|
| Molecular Weight | 530.06 g/mol |
| LogP | 6.5808 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.0638 |
| Heavy Atoms | 36 |
| Complexity | 1577.8989 |
Chemical Identifiers
| CAS Number | 326007-70-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O)C5=C(C6=CC=CC=C6S5)Cl |
Product Overview
AF-399/14216012 (CAS 326007-70-9), with molecular formula C27H19ClN4O2S2 and molecular weight 530.06 g/mol. IUPAC: 2-[3-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione.
Chemical Property Profile of AF-399/14216012
Property Insights of AF-399/14216012
The XLogP value of 6.5808 indicates that AF-399/14216012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/14216012. Following Lipinski's Rule of Five, AF-399/14216012 has 0 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 AF-399/14216012?
The CAS number of AF-399/14216012 is 326007-70-9.
What is the molecular formula of AF-399/14216012?
The molecular formula of AF-399/14216012 is C27H19ClN4O2S2.
What is the molecular weight of AF-399/14216012?
The molecular weight of AF-399/14216012 is 530.06 g/mol.
Where can I buy AF-399/14216012?
You can request a quote for AF-399/14216012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/14216012?
Yes, KEHONG BIO provides custom synthesis services for AF-399/14216012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.