ChemDiv2_007033
TL;DR: ChemDiv2_007033 (CAS 847397-82-4) is a chemical compound with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
Also Known As: ChemDiv2_007033, IDI1_005748, 4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one, F0660-2491, 4-(1-(2-(2-methoxyphenoxy)ethyl)-1H-benzo[d]imidazol-2-yl)-1-(3-(methylthio)phenyl)pyrrolidin-2-one
| Molecular Formula | C27H27N3O3S |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 5.3663 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.1773 |
| Heavy Atoms | 34 |
| Complexity | 1319.4817 |
Chemical Identifiers
| CAS Number | 847397-82-4 |
|---|---|
| SMILES | COC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)C5=CC(=CC=C5)SC |
Product Overview
ChemDiv2_007033 (CAS 847397-82-4), with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol. IUPAC: 4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one.
Chemical Property Profile of ChemDiv2_007033
Property Insights of ChemDiv2_007033
The XLogP value of 5.3663 indicates that ChemDiv2_007033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, ChemDiv2_007033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_007033 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_007033?
The CAS number of ChemDiv2_007033 is 847397-82-4.
What is the molecular formula of ChemDiv2_007033?
The molecular formula of ChemDiv2_007033 is C27H27N3O3S.
What is the molecular weight of ChemDiv2_007033?
The molecular weight of ChemDiv2_007033 is 473.18 g/mol.
Where can I buy ChemDiv2_007033?
You can request a quote for ChemDiv2_007033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007033?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.