AB00022590-01
TL;DR: AB00022590-01 (CAS 53828-36-7) is a chemical compound with molecular formula C21H24ClN3O3 and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-1H-benzimidazol-2-one
Also Known As: AB00022590-01, 1-[1-[3- -2-hydroxypropyl]-4-piperidyl]-1,3-dihydro-2H-benzimidazol-2-one, 3-[1-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-4-piperidyl]-1H-benzoimidazol-2-one, 3-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-1H-benzimidazol-2-one, 1-[1-[3-(4-CHLOROPHENOXY)-2-HYDROXYPROPYL ]-4-PIPERIDYL ]-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE
| Molecular Formula | C21H24ClN3O3 |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 3.0598 |
| Topological Polar Surface Area | 70.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1506 |
| Heavy Atoms | 28 |
| Complexity | 974.47455 |
Chemical Identifiers
| CAS Number | 53828-36-7 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
AB00022590-01 (CAS 53828-36-7), with molecular formula C21H24ClN3O3 and molecular weight 401.15 g/mol. IUPAC: 3-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-1H-benzimidazol-2-one.
Chemical Property Profile of AB00022590-01
Property Insights of AB00022590-01
The XLogP value of 3.0598 indicates that AB00022590-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00022590-01. Following Lipinski's Rule of Five, AB00022590-01 has 2 hydrogen bond donor(s) and 4 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 AB00022590-01?
The CAS number of AB00022590-01 is 53828-36-7.
What is the molecular formula of AB00022590-01?
The molecular formula of AB00022590-01 is C21H24ClN3O3.
What is the molecular weight of AB00022590-01?
The molecular weight of AB00022590-01 is 401.15 g/mol.
Where can I buy AB00022590-01?
You can request a quote for AB00022590-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00022590-01?
Yes, KEHONG BIO provides custom synthesis services for AB00022590-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.