UPCMLD0ENAT5967452:001
TL;DR: UPCMLD0ENAT5967452:001 (CAS 378768-36-6) is a chemical compound with molecular formula C21H15ClN2O5S2 and molecular weight 474.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: UPCMLD0ENAT5967452:001, BAS 03303954, AF-399/40991673, methyl 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophen-2-ylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-(2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
| Molecular Formula | C21H15ClN2O5S2 |
|---|---|
| Molecular Weight | 474.01 g/mol |
| LogP | 4.73592 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.01108 |
| Heavy Atoms | 31 |
| Complexity | 1215.1382 |
Chemical Identifiers
| CAS Number | 378768-36-6 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl)C(=O)OC |
Product Overview
UPCMLD0ENAT5967452:001 (CAS 378768-36-6), with molecular formula C21H15ClN2O5S2 and molecular weight 474.01 g/mol. IUPAC: methyl 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5967452:001
Property Insights of UPCMLD0ENAT5967452:001
The XLogP value of 4.73592 indicates that UPCMLD0ENAT5967452:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5967452:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5967452:001 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 UPCMLD0ENAT5967452:001?
The CAS number of UPCMLD0ENAT5967452:001 is 378768-36-6.
What is the molecular formula of UPCMLD0ENAT5967452:001?
The molecular formula of UPCMLD0ENAT5967452:001 is C21H15ClN2O5S2.
What is the molecular weight of UPCMLD0ENAT5967452:001?
The molecular weight of UPCMLD0ENAT5967452:001 is 474.01 g/mol.
Where can I buy UPCMLD0ENAT5967452:001?
You can request a quote for UPCMLD0ENAT5967452:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967452:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967452:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.