AN-988/40680416
TL;DR: AN-988/40680416 (CAS 428827-77-4) is a chemical compound with molecular formula C21H19BrFNO4S and molecular weight 479.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: AN-988/40680416, (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione, (5Z)-5-(3-bromo-4,5-diethoxybenzylidene)-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione, 5-(3-bromo-4,5-diethoxybenzylidene)-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C21H19BrFNO4S |
|---|---|
| Molecular Weight | 479.02 g/mol |
| LogP | 5.6221 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.02023 |
| Heavy Atoms | 29 |
| Complexity | 961.8986 |
Chemical Identifiers
| CAS Number | 428827-77-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OCC |
Product Overview
AN-988/40680416 (CAS 428827-77-4), with molecular formula C21H19BrFNO4S and molecular weight 479.02 g/mol. IUPAC: (5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-988/40680416
Property Insights of AN-988/40680416
The XLogP value of 5.6221 indicates that AN-988/40680416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, AN-988/40680416 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-988/40680416 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-988/40680416?
The CAS number of AN-988/40680416 is 428827-77-4.
What is the molecular formula of AN-988/40680416?
The molecular formula of AN-988/40680416 is C21H19BrFNO4S.
What is the molecular weight of AN-988/40680416?
The molecular weight of AN-988/40680416 is 479.02 g/mol.
Where can I buy AN-988/40680416?
You can request a quote for AN-988/40680416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40680416?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40680416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.