UPCMLD0ENAT5980959:001
TL;DR: UPCMLD0ENAT5980959:001 (CAS 378772-33-9) is a chemical compound with molecular formula C21H18BrN3O3S and molecular weight 471.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: UPCMLD0ENAT5980959:001, AB00114573-01, 2-(3-bromophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 1-(3-(1H-imidazol-1-yl)propyl)-5-(3-bromophenyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 5-(3-bromophenyl)-3-hydroxy-1-(3-imidazolylpropyl)-4-(2-thienylcarbonyl)-3-pyr rolin-2-one
| Molecular Formula | C21H18BrN3O3S |
|---|---|
| Molecular Weight | 471.03 g/mol |
| LogP | 4.3757 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.02524 |
| Heavy Atoms | 29 |
| Complexity | 1060.804 |
Chemical Identifiers
| CAS Number | 378772-33-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CS4 |
Product Overview
UPCMLD0ENAT5980959:001 (CAS 378772-33-9), with molecular formula C21H18BrN3O3S and molecular weight 471.03 g/mol. IUPAC: 2-(3-bromophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of UPCMLD0ENAT5980959:001
Property Insights of UPCMLD0ENAT5980959:001
The XLogP value of 4.3757 indicates that UPCMLD0ENAT5980959:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5980959:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5980959:001 has 1 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5980959:001?
The CAS number of UPCMLD0ENAT5980959:001 is 378772-33-9.
What is the molecular formula of UPCMLD0ENAT5980959:001?
The molecular formula of UPCMLD0ENAT5980959:001 is C21H18BrN3O3S.
What is the molecular weight of UPCMLD0ENAT5980959:001?
The molecular weight of UPCMLD0ENAT5980959:001 is 471.03 g/mol.
Where can I buy UPCMLD0ENAT5980959:001?
You can request a quote for UPCMLD0ENAT5980959:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5980959:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5980959:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.