RefChem:554797
TL;DR: RefChem:554797 (CAS 618071-83-3) is a chemical compound with molecular formula C27H23FN2O6S and molecular weight 522.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Allyl 2-(3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 638-622-5, ALLYL 2-(3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-2-(3-METHOXYPHENYL)-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, allyl 2-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, RefChem:554797
| Molecular Formula | C27H23FN2O6S |
|---|---|
| Molecular Weight | 522.13 g/mol |
| LogP | 4.87674 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1261 |
| Heavy Atoms | 37 |
| Complexity | 1460.8231 |
Chemical Identifiers
| CAS Number | 618071-83-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC(=CC=C4)OC)/O)F |
Product Overview
RefChem:554797 (CAS 618071-83-3), with molecular formula C27H23FN2O6S and molecular weight 522.13 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:554797
Property Insights of RefChem:554797
The XLogP value of 4.87674 indicates that RefChem:554797 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:554797. Following Lipinski's Rule of Five, RefChem:554797 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:554797?
The CAS number of RefChem:554797 is 618071-83-3.
What is the molecular formula of RefChem:554797?
The molecular formula of RefChem:554797 is C27H23FN2O6S.
What is the molecular weight of RefChem:554797?
The molecular weight of RefChem:554797 is 522.13 g/mol.
Where can I buy RefChem:554797?
You can request a quote for RefChem:554797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:554797?
Yes, KEHONG BIO provides custom synthesis services for RefChem:554797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.