AN-989/40768616
TL;DR: AN-989/40768616 (CAS 429654-80-8) is a chemical compound with molecular formula C22H19BrN2O4S and molecular weight 486.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: AN-989/40768616, (5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one, 5-[3-bromo-5-methoxy-4-(2-propynyloxy)benzylidene]-3-(4-ethoxyphenyl)-2-thioxo-4-imidazolidinone, (5Z)-5-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one, 5-[3-bromo-5-methoxy-4-(2-propyn-1-yloxy)benzylidene]-3-(4-ethoxyphenyl)-2-thioxo-4-imidazolidinone
| Molecular Formula | C22H19BrN2O4S |
|---|---|
| Molecular Weight | 486.02 g/mol |
| LogP | 4.1306 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.0249 |
| Heavy Atoms | 30 |
| Complexity | 1044.3385 |
Chemical Identifiers
| CAS Number | 429654-80-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC#C)OC)/NC2=S |
Product Overview
AN-989/40768616 (CAS 429654-80-8), with molecular formula C22H19BrN2O4S and molecular weight 486.02 g/mol. IUPAC: (5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AN-989/40768616
Property Insights of AN-989/40768616
The XLogP value of 4.1306 indicates that AN-989/40768616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40768616. Following Lipinski's Rule of Five, AN-989/40768616 has 1 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 AN-989/40768616?
The CAS number of AN-989/40768616 is 429654-80-8.
What is the molecular formula of AN-989/40768616?
The molecular formula of AN-989/40768616 is C22H19BrN2O4S.
What is the molecular weight of AN-989/40768616?
The molecular weight of AN-989/40768616 is 486.02 g/mol.
Where can I buy AN-989/40768616?
You can request a quote for AN-989/40768616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40768616?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40768616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.