RefChem:813191
TL;DR: RefChem:813191 (CAS 618075-83-5) is a chemical compound with molecular formula C28H25FN2O7S and molecular weight 552.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxy-4-prop-2-enoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 2-(2-(4-(allyloxy)-3-methoxyphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 645-790-3, METHYL 2-(2-(4-(ALLYLOXY)-3-METHOXYPHENYL)-3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDRO XY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, Methyl 2-[2-[4-(allyloxy)-3-methoxyphenyl]-3-(3-fluoro-4-methylbenzoyl)-4-hydro XY-5-oxo-2,5-dihydro-1H-pyrrol-1-YL]-4-methyl-1,3-thiazole-5-carboxylate, RefChem:813191
| Molecular Formula | C28H25FN2O7S |
|---|---|
| Molecular Weight | 552.14 g/mol |
| LogP | 4.88534 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.13666 |
| Heavy Atoms | 39 |
| Complexity | 1528.0446 |
Chemical Identifiers
| CAS Number | 618075-83-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=C(C=C4)OCC=C)OC)/O)F |
Product Overview
RefChem:813191 (CAS 618075-83-5), with molecular formula C28H25FN2O7S and molecular weight 552.14 g/mol. IUPAC: methyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxy-4-prop-2-enoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:813191
Property Insights of RefChem:813191
The XLogP value of 4.88534 indicates that RefChem:813191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:813191. Following Lipinski's Rule of Five, RefChem:813191 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:813191?
The CAS number of RefChem:813191 is 618075-83-5.
What is the molecular formula of RefChem:813191?
The molecular formula of RefChem:813191 is C28H25FN2O7S.
What is the molecular weight of RefChem:813191?
The molecular weight of RefChem:813191 is 552.14 g/mol.
Where can I buy RefChem:813191?
You can request a quote for RefChem:813191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:813191?
Yes, KEHONG BIO provides custom synthesis services for RefChem:813191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.