AN-698/40749219
TL;DR: AN-698/40749219 (CAS 491587-01-0) is a chemical compound with molecular formula C23H15BrN2O5S2 and molecular weight 541.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-methoxybenzenesulfonate
Also Known As: AN-698/40749219, (Z)-2-bromo-4-((3-oxobenzo[4,5]imidazo[2,1-b]thiazol-2(3H)-ylidene)methyl)phenyl 4-methoxybenzenesulfonate, [2-bromo-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-methoxybenzenesulfonate, 2-bromo-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 4-methoxybenzenesulfonate, 2-bromo-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 4-methoxybenzenesulfonate
| Molecular Formula | C23H15BrN2O5S2 |
|---|---|
| Molecular Weight | 541.96 g/mol |
| LogP | 3.9957 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.9606 |
| Heavy Atoms | 33 |
| Complexity | 1724.9153 |
Chemical Identifiers
| CAS Number | 491587-01-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N4C5=CC=CC=C5N=C4S3)Br |
Product Overview
AN-698/40749219 (CAS 491587-01-0), with molecular formula C23H15BrN2O5S2 and molecular weight 541.96 g/mol. IUPAC: [2-bromo-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-methoxybenzenesulfonate.
Chemical Property Profile of AN-698/40749219
Property Insights of AN-698/40749219
The XLogP value of 3.9957 indicates that AN-698/40749219 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40749219. Following Lipinski's Rule of Five, AN-698/40749219 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/40749219?
The CAS number of AN-698/40749219 is 491587-01-0.
What is the molecular formula of AN-698/40749219?
The molecular formula of AN-698/40749219 is C23H15BrN2O5S2.
What is the molecular weight of AN-698/40749219?
The molecular weight of AN-698/40749219 is 541.96 g/mol.
Where can I buy AN-698/40749219?
You can request a quote for AN-698/40749219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40749219?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40749219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.