UPCMLD0ENAT5989548:001
TL;DR: UPCMLD0ENAT5989548:001 (CAS 380167-80-6) is a chemical compound with molecular formula C22H19ClN4O3 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: UPCMLD0ENAT5989548:001, BAS 03302672, AB00114079-01, AB00114079-04, 4-(4-chlorobenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C22H19ClN4O3 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 3.4435 |
| Topological Polar Surface Area | 88.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.11456 |
| Heavy Atoms | 30 |
| Complexity | 1079.3401 |
Chemical Identifiers
| CAS Number | 380167-80-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCCN4C=CN=C4 |
Product Overview
UPCMLD0ENAT5989548:001 (CAS 380167-80-6), with molecular formula C22H19ClN4O3 and molecular weight 422.11 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of UPCMLD0ENAT5989548:001
Property Insights of UPCMLD0ENAT5989548:001
The XLogP value of 3.4435 indicates that UPCMLD0ENAT5989548:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.32 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5989548:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5989548:001 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 UPCMLD0ENAT5989548:001?
The CAS number of UPCMLD0ENAT5989548:001 is 380167-80-6.
What is the molecular formula of UPCMLD0ENAT5989548:001?
The molecular formula of UPCMLD0ENAT5989548:001 is C22H19ClN4O3.
What is the molecular weight of UPCMLD0ENAT5989548:001?
The molecular weight of UPCMLD0ENAT5989548:001 is 422.11 g/mol.
Where can I buy UPCMLD0ENAT5989548:001?
You can request a quote for UPCMLD0ENAT5989548:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5989548:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5989548:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.