AN-698/40780087
TL;DR: AN-698/40780087 (CAS 444048-96-8) is a chemical compound with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
Also Known As: AN-698/40780087, (2Z,5E)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one, (5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one, (2Z,5E)-5-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene)-3-(2-methoxyethyl)-2-(phenylimino)thiazolidin-4-one, 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
| Molecular Formula | C25H25N3O2S |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 5.34454 |
| Topological Polar Surface Area | 46.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.16675 |
| Heavy Atoms | 31 |
| Complexity | 1134.3336 |
Chemical Identifiers
| CAS Number | 444048-96-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CCOC |
Product Overview
AN-698/40780087 (CAS 444048-96-8), with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol. IUPAC: (5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one.
Chemical Property Profile of AN-698/40780087
Property Insights of AN-698/40780087
The XLogP value of 5.34454 indicates that AN-698/40780087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.83 Ų, AN-698/40780087 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/40780087 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/40780087?
The CAS number of AN-698/40780087 is 444048-96-8.
What is the molecular formula of AN-698/40780087?
The molecular formula of AN-698/40780087 is C25H25N3O2S.
What is the molecular weight of AN-698/40780087?
The molecular weight of AN-698/40780087 is 431.17 g/mol.
Where can I buy AN-698/40780087?
You can request a quote for AN-698/40780087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40780087?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40780087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.