AF-399/40684319
TL;DR: AF-399/40684319 (CAS 379243-98-8) is a chemical compound with molecular formula C22H21N5O2S and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: AF-399/40684319, 1-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one, 1-[1-(4-METHOXYPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-2-[(1-PHENYL-1H-TETRAAZOL-5-YL)SULFANYL]ETHANONE, 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone, 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone
| Molecular Formula | C22H21N5O2S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 4.05344 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.1416 |
| Heavy Atoms | 30 |
| Complexity | 1166.2234 |
Chemical Identifiers
| CAS Number | 379243-98-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AF-399/40684319 (CAS 379243-98-8), with molecular formula C22H21N5O2S and molecular weight 419.14 g/mol. IUPAC: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of AF-399/40684319
Property Insights of AF-399/40684319
The XLogP value of 4.05344 indicates that AF-399/40684319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40684319. Following Lipinski's Rule of Five, AF-399/40684319 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-399/40684319?
The CAS number of AF-399/40684319 is 379243-98-8.
What is the molecular formula of AF-399/40684319?
The molecular formula of AF-399/40684319 is C22H21N5O2S.
What is the molecular weight of AF-399/40684319?
The molecular weight of AF-399/40684319 is 419.14 g/mol.
Where can I buy AF-399/40684319?
You can request a quote for AF-399/40684319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40684319?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40684319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.