AN-989/40768649
TL;DR: AN-989/40768649 (CAS 429656-45-1) is a chemical compound with molecular formula C19H16BrClN2O3S and molecular weight 465.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
Also Known As: AN-989/40768649, 5-{2-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzylidene}-3-methyl-2-thioxo-4-imidazolidinone, (5Z)-5-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one, (5Z)-5-{2-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
| Molecular Formula | C19H16BrClN2O3S |
|---|---|
| Molecular Weight | 465.98 g/mol |
| LogP | 4.3775 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.97534 |
| Heavy Atoms | 27 |
| Complexity | 931.2972 |
Chemical Identifiers
| CAS Number | 429656-45-1 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C=C2Br)OCC3=CC=C(C=C3)Cl)OC)/NC1=S |
Product Overview
AN-989/40768649 (CAS 429656-45-1), with molecular formula C19H16BrClN2O3S and molecular weight 465.98 g/mol. IUPAC: (5Z)-5-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AN-989/40768649
Property Insights of AN-989/40768649
The XLogP value of 4.3775 indicates that AN-989/40768649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, AN-989/40768649 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-989/40768649 has 1 hydrogen bond donor(s) and 4 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 AN-989/40768649?
The CAS number of AN-989/40768649 is 429656-45-1.
What is the molecular formula of AN-989/40768649?
The molecular formula of AN-989/40768649 is C19H16BrClN2O3S.
What is the molecular weight of AN-989/40768649?
The molecular weight of AN-989/40768649 is 465.98 g/mol.
Where can I buy AN-989/40768649?
You can request a quote for AN-989/40768649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40768649?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40768649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.