BAS 11787852
TL;DR: BAS 11787852 (CAS 876887-41-1) is a chemical compound with molecular formula C22H22ClN3O2 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
Also Known As: BAS 11787852, VU0607057-1, F3243-0970, 1-allyl-4-(1-(2-(2-chlorophenoxy)ethyl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-2-one, 4-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
| Molecular Formula | C22H22ClN3O2 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 4.2706 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.14005 |
| Heavy Atoms | 28 |
| Complexity | 1013.93945 |
Chemical Identifiers
| CAS Number | 876887-41-1 |
|---|---|
| SMILES | C=CCN1CC(CC1=O)C2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4Cl |
Product Overview
BAS 11787852 (CAS 876887-41-1), with molecular formula C22H22ClN3O2 and molecular weight 395.14 g/mol. IUPAC: 4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one.
Chemical Property Profile of BAS 11787852
Property Insights of BAS 11787852
The XLogP value of 4.2706 indicates that BAS 11787852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.36 Ų, BAS 11787852 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11787852 has 0 hydrogen bond donor(s) and 3 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 BAS 11787852?
The CAS number of BAS 11787852 is 876887-41-1.
What is the molecular formula of BAS 11787852?
The molecular formula of BAS 11787852 is C22H22ClN3O2.
What is the molecular weight of BAS 11787852?
The molecular weight of BAS 11787852 is 395.14 g/mol.
Where can I buy BAS 11787852?
You can request a quote for BAS 11787852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11787852?
Yes, KEHONG BIO provides custom synthesis services for BAS 11787852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.