AE-848/42434909
TL;DR: AE-848/42434909 (CAS 585564-13-2) is a chemical compound with molecular formula C19H19N5S and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)aniline
Also Known As: AE-848/42434909, N,N-dimethyl-N-[4-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl]amine, A3599/0152453, N,N-Dimethyl-4-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)aniline, N,N-dimethyl-4-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
| Molecular Formula | C19H19N5S |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.9508 |
| Topological Polar Surface Area | 46.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.1361 |
| Heavy Atoms | 25 |
| Complexity | 1074.7838 |
Chemical Identifiers
| CAS Number | 585564-13-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5 |
Product Overview
AE-848/42434909 (CAS 585564-13-2), with molecular formula C19H19N5S and molecular weight 349.14 g/mol. IUPAC: N,N-dimethyl-4-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)aniline.
Chemical Property Profile of AE-848/42434909
Property Insights of AE-848/42434909
The XLogP value of 3.9508 indicates that AE-848/42434909 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-848/42434909 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/42434909 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-848/42434909?
The CAS number of AE-848/42434909 is 585564-13-2.
What is the molecular formula of AE-848/42434909?
The molecular formula of AE-848/42434909 is C19H19N5S.
What is the molecular weight of AE-848/42434909?
The molecular weight of AE-848/42434909 is 349.14 g/mol.
Where can I buy AE-848/42434909?
You can request a quote for AE-848/42434909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42434909?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42434909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.