AE-848/07789050
TL;DR: AE-848/07789050 (CAS 364057-82-9) is a chemical compound with molecular formula C20H17BrClN3OS and molecular weight 461.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(Z)-[4-(4-chlorophenyl)-5-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzamide
Also Known As: AE-848/07789050, 3-bromo-N-[(Z)-[4-(4-chlorophenyl)-5-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzamide, N'-(3-allyl-4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2(3H)-ylidene)-3-bromobenzohydrazide, N'-(3-Allyl-4-(4-chlorophenyl)-5-methylthiazol-2(3H)-ylidene)-3-bromobenzohydrazide, (3-bromophenyl)-N-{[4-(4-chlorophenyl)-5-methyl-3-prop-2-enyl(1,3-thiazolin-2- ylidene)]azamethyl}carboxamide
| Molecular Formula | C20H17BrClN3OS |
|---|---|
| Molecular Weight | 461.00 g/mol |
| LogP | 5.37262 |
| Topological Polar Surface Area | 46.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.99643 |
| Heavy Atoms | 27 |
| Complexity | 1053.834 |
Chemical Identifiers
| CAS Number | 364057-82-9 |
|---|---|
| SMILES | CC1=C(N(/C(=N/NC(=O)C2=CC(=CC=C2)Br)/S1)CC=C)C3=CC=C(C=C3)Cl |
Product Overview
AE-848/07789050 (CAS 364057-82-9), with molecular formula C20H17BrClN3OS and molecular weight 461.00 g/mol. IUPAC: 3-bromo-N-[(Z)-[4-(4-chlorophenyl)-5-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzamide.
Chemical Property Profile of AE-848/07789050
Property Insights of AE-848/07789050
The XLogP value of 5.37262 indicates that AE-848/07789050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.39 Ų, AE-848/07789050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/07789050 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/07789050?
The CAS number of AE-848/07789050 is 364057-82-9.
What is the molecular formula of AE-848/07789050?
The molecular formula of AE-848/07789050 is C20H17BrClN3OS.
What is the molecular weight of AE-848/07789050?
The molecular weight of AE-848/07789050 is 461.00 g/mol.
Where can I buy AE-848/07789050?
You can request a quote for AE-848/07789050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/07789050?
Yes, KEHONG BIO provides custom synthesis services for AE-848/07789050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.