AN-758/13083012
TL;DR: AN-758/13083012 (CAS 354784-15-9) is a chemical compound with molecular formula C30H22Br2ClFN2O4S and molecular weight 717.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-chlorophenyl)-2-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-758/13083012, ethyl 5-(4-chlorophenyl)-2-{3,5-dibromo-4-[(4-fluorobenzyl)oxy]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(4-chlorophenyl)-2-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C30H22Br2ClFN2O4S |
|---|---|
| Molecular Weight | 717.93 g/mol |
| LogP | 6.6948 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 717.93396 |
| Heavy Atoms | 41 |
| Complexity | 1828.2297 |
Chemical Identifiers
| CAS Number | 354784-15-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C/C4=CC(=C(C(=C4)Br)OCC5=CC=C(C=C5)F)Br)/S2)C |
Product Overview
AN-758/13083012 (CAS 354784-15-9), with molecular formula C30H22Br2ClFN2O4S and molecular weight 717.93 g/mol. IUPAC: ethyl (2Z)-5-(4-chlorophenyl)-2-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-758/13083012
Property Insights of AN-758/13083012
The XLogP value of 6.6948 indicates that AN-758/13083012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-758/13083012. Following Lipinski's Rule of Five, AN-758/13083012 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-758/13083012?
The CAS number of AN-758/13083012 is 354784-15-9.
What is the molecular formula of AN-758/13083012?
The molecular formula of AN-758/13083012 is C30H22Br2ClFN2O4S.
What is the molecular weight of AN-758/13083012?
The molecular weight of AN-758/13083012 is 717.93 g/mol.
Where can I buy AN-758/13083012?
You can request a quote for AN-758/13083012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-758/13083012?
Yes, KEHONG BIO provides custom synthesis services for AN-758/13083012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.