UPCMLD0ENAT5972447:001
TL;DR: UPCMLD0ENAT5972447:001 (CAS 371235-57-3) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: UPCMLD0ENAT5972447:001, 1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one, (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione, (4E)-1-[2-(dimethylamino)ethyl]-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-5-(thiophen-2-yl)pyrrolidine-2,3-dione, 1-[2-(dimethylamino)ethyl]-3-hydroxy-4-{[4-(propan-2-yloxy)phenyl]carbonyl}-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 3.5186 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 901.4033 |
Chemical Identifiers
| CAS Number | 371235-57-3 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)/O |
Product Overview
UPCMLD0ENAT5972447:001 (CAS 371235-57-3), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of UPCMLD0ENAT5972447:001
Property Insights of UPCMLD0ENAT5972447:001
The XLogP value of 3.5186 indicates that UPCMLD0ENAT5972447:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5972447:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5972447:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5972447:001?
The CAS number of UPCMLD0ENAT5972447:001 is 371235-57-3.
What is the molecular formula of UPCMLD0ENAT5972447:001?
The molecular formula of UPCMLD0ENAT5972447:001 is C22H26N2O4S.
What is the molecular weight of UPCMLD0ENAT5972447:001?
The molecular weight of UPCMLD0ENAT5972447:001 is 414.16 g/mol.
Where can I buy UPCMLD0ENAT5972447:001?
You can request a quote for UPCMLD0ENAT5972447:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5972447:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5972447:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.