AE-848/42434914
TL;DR: AE-848/42434914 (CAS 694506-71-3) is a chemical compound with molecular formula C20H21N5S and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-yl)aniline
Also Known As: AE-848/42434914, N,N-dimethyl-4-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline, N,N-Dimethyl-4-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-yl)aniline, N,N-dimethyl-N-[4-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl]amine
| Molecular Formula | C20H21N5S |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 4.3409 |
| Topological Polar Surface Area | 46.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.15176 |
| Heavy Atoms | 26 |
| Complexity | 1090.9915 |
Chemical Identifiers
| CAS Number | 694506-71-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5 |
Product Overview
AE-848/42434914 (CAS 694506-71-3), with molecular formula C20H21N5S and molecular weight 363.15 g/mol. IUPAC: N,N-dimethyl-4-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-yl)aniline.
Chemical Property Profile of AE-848/42434914
Property Insights of AE-848/42434914
The XLogP value of 4.3409 indicates that AE-848/42434914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.32 Ų, AE-848/42434914 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/42434914 has 0 hydrogen bond donor(s) and 5 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 AE-848/42434914?
The CAS number of AE-848/42434914 is 694506-71-3.
What is the molecular formula of AE-848/42434914?
The molecular formula of AE-848/42434914 is C20H21N5S.
What is the molecular weight of AE-848/42434914?
The molecular weight of AE-848/42434914 is 363.15 g/mol.
Where can I buy AE-848/42434914?
You can request a quote for AE-848/42434914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42434914?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42434914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.