UPCMLD0ENAT5980938:001
TL;DR: UPCMLD0ENAT5980938:001 (CAS 371925-78-9) is a chemical compound with molecular formula C23H20N2O6S and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: UPCMLD0ENAT5980938:001, AF-399/40992015, methyl 2-[(3E)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-(3-hydroxy-4-(5-methylfuran-2-carbonyl)-2-oxo-5-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[3-hydroxy-4-(5-methyl-2-furoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C23H20N2O6S |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 4.23086 |
| Topological Polar Surface Area | 109.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.10422 |
| Heavy Atoms | 32 |
| Complexity | 1267.8997 |
Chemical Identifiers
| CAS Number | 371925-78-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OC)C)O)C(=O)C4=CC=C(O4)C |
Product Overview
UPCMLD0ENAT5980938:001 (CAS 371925-78-9), with molecular formula C23H20N2O6S and molecular weight 452.10 g/mol. IUPAC: methyl 2-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5980938:001
Property Insights of UPCMLD0ENAT5980938:001
The XLogP value of 4.23086 indicates that UPCMLD0ENAT5980938:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5980938:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5980938:001 has 1 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5980938:001?
The CAS number of UPCMLD0ENAT5980938:001 is 371925-78-9.
What is the molecular formula of UPCMLD0ENAT5980938:001?
The molecular formula of UPCMLD0ENAT5980938:001 is C23H20N2O6S.
What is the molecular weight of UPCMLD0ENAT5980938:001?
The molecular weight of UPCMLD0ENAT5980938:001 is 452.10 g/mol.
Where can I buy UPCMLD0ENAT5980938:001?
You can request a quote for UPCMLD0ENAT5980938:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5980938:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5980938:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.