AN-989/40683819
TL;DR: AN-989/40683819 (CAS 443877-99-4) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(5Z)-3-methyl-4-oxo-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: AN-989/40683819, methyl 4-((E)-((Z)-3-methyl-4-oxo-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)thiazolidin-2-ylidene)amino)benzoate, methyl 4-({3-methyl-4-oxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-1,3-thiazolidin-2-ylidene}amino)benzoate, methyl 4-[[(5Z)-3-methyl-4-oxo-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate, methyl 4-({(2E,5Z)-3-methyl-4-oxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]-1,3-thiazolidin-2-ylidene}amino)benzoate
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.66234 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 971.10333 |
Chemical Identifiers
| CAS Number | 443877-99-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C)C)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)C(=O)OC)S2)C |
Product Overview
AN-989/40683819 (CAS 443877-99-4), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: methyl 4-[[(5Z)-3-methyl-4-oxo-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate.
Chemical Property Profile of AN-989/40683819
Property Insights of AN-989/40683819
The XLogP value of 3.66234 indicates that AN-989/40683819 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683819. Following Lipinski's Rule of Five, AN-989/40683819 has 0 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-989/40683819?
The CAS number of AN-989/40683819 is 443877-99-4.
What is the molecular formula of AN-989/40683819?
The molecular formula of AN-989/40683819 is C20H21N3O3S.
What is the molecular weight of AN-989/40683819?
The molecular weight of AN-989/40683819 is 383.13 g/mol.
Where can I buy AN-989/40683819?
You can request a quote for AN-989/40683819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683819?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.