UPCMLD0ENAT5479562:001
TL;DR: UPCMLD0ENAT5479562:001 (CAS 847394-76-7) is a chemical compound with molecular formula C22H21N3O and molecular weight 343.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethylphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
Also Known As: UPCMLD0ENAT5479562:001, 1-(4-ethylphenyl)-4-(1-(prop-2-yn-1-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-2-one, F0660-0389, 1-(4-ethylphenyl)-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one, 1-(4-ethylphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
| Molecular Formula | C22H21N3O |
|---|---|
| Molecular Weight | 343.17 g/mol |
| LogP | 3.7524 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.16846 |
| Heavy Atoms | 26 |
| Complexity | 994.3944 |
Chemical Identifiers
| CAS Number | 847394-76-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3CC#C |
Product Overview
UPCMLD0ENAT5479562:001 (CAS 847394-76-7), with molecular formula C22H21N3O and molecular weight 343.17 g/mol. IUPAC: 1-(4-ethylphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one.
Chemical Property Profile of UPCMLD0ENAT5479562:001
Property Insights of UPCMLD0ENAT5479562:001
The XLogP value of 3.7524 indicates that UPCMLD0ENAT5479562:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, UPCMLD0ENAT5479562:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5479562:001 has 0 hydrogen bond donor(s) and 2 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 UPCMLD0ENAT5479562:001?
The CAS number of UPCMLD0ENAT5479562:001 is 847394-76-7.
What is the molecular formula of UPCMLD0ENAT5479562:001?
The molecular formula of UPCMLD0ENAT5479562:001 is C22H21N3O.
What is the molecular weight of UPCMLD0ENAT5479562:001?
The molecular weight of UPCMLD0ENAT5479562:001 is 343.17 g/mol.
Where can I buy UPCMLD0ENAT5479562:001?
You can request a quote for UPCMLD0ENAT5479562:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5479562:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5479562:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.