BB2D9CP9K4
TL;DR: BB2D9CP9K4 (CAS 1814-13-7) is a chemical compound with molecular formula C23H26FN3O3 and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydroxymethyl)benzimidazol-2-one
Also Known As: 5-24-02-00379 (Beilstein Handbook Reference), 2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-3-hydroxymethyl-, 1-(1-(gamma-(4-Fluorobenzoyl)-propyl)-4-piperidyl)-3-hydroxymethyl-2-benzimidazolinone, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydro, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydroxymethyl)benzimidazol-2-one
| Molecular Formula | C23H26FN3O3 |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.19583 |
| Heavy Atoms | 30 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 1814-13-7 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | ACQRYVMWVNCRDN-UHFFFAOYSA-N |
Product Overview
BB2D9CP9K4 (CAS 1814-13-7), with molecular formula C23H26FN3O3 and molecular weight 411.20 g/mol. IUPAC: 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydroxymethyl)benzimidazol-2-one.
Chemical Property Profile of BB2D9CP9K4
Property Insights of BB2D9CP9K4
The XLogP value of 3.3 indicates that BB2D9CP9K4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BB2D9CP9K4. Following Lipinski's Rule of Five, BB2D9CP9K4 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 BB2D9CP9K4?
The CAS number of BB2D9CP9K4 is 1814-13-7.
What is the molecular formula of BB2D9CP9K4?
The molecular formula of BB2D9CP9K4 is C23H26FN3O3.
What is the molecular weight of BB2D9CP9K4?
The molecular weight of BB2D9CP9K4 is 411.20 g/mol.
Where can I buy BB2D9CP9K4?
You can request a quote for BB2D9CP9K4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB2D9CP9K4?
Yes, KEHONG BIO provides custom synthesis services for BB2D9CP9K4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.