AF-399/40805033
TL;DR: AF-399/40805033 (CAS 327093-45-8) is a chemical compound with molecular formula C16H13N3O2S2 and molecular weight 343.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-5-thiophen-2-yl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Also Known As: AF-399/40805033, 2-(4-methoxyphenyl)-5-(thiophen-2-yl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 2-(4-methoxyphenyl)-5-(thiophen-2-yl)-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7(6H)-one, 2-(4-methoxyphenyl)-5-(2-thienyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 2-(4-methoxyphenyl)-5-(2-thienyl)-5H,6H-1,2,4-triazolo[5,1-b]1,3-thiazaperhydr oin-7-one
| Molecular Formula | C16H13N3O2S2 |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 3.8925 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.04492 |
| Heavy Atoms | 23 |
| Complexity | 840.84985 |
Chemical Identifiers
| CAS Number | 327093-45-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN3C(=O)CC(SC3=N2)C4=CC=CS4 |
Product Overview
AF-399/40805033 (CAS 327093-45-8), with molecular formula C16H13N3O2S2 and molecular weight 343.04 g/mol. IUPAC: 2-(4-methoxyphenyl)-5-thiophen-2-yl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
Chemical Property Profile of AF-399/40805033
Property Insights of AF-399/40805033
The XLogP value of 3.8925 indicates that AF-399/40805033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, AF-399/40805033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40805033 has 0 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 AF-399/40805033?
The CAS number of AF-399/40805033 is 327093-45-8.
What is the molecular formula of AF-399/40805033?
The molecular formula of AF-399/40805033 is C16H13N3O2S2.
What is the molecular weight of AF-399/40805033?
The molecular weight of AF-399/40805033 is 343.04 g/mol.
Where can I buy AF-399/40805033?
You can request a quote for AF-399/40805033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40805033?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40805033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.