3-O-TOLYL-PROPIONALDEHYDE
TL;DR: 3-O-TOLYL-PROPIONALDEHYDE (CAS 132764-69-3) is a chemical compound with molecular formula C22H25ClN6O3 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
Also Known As: 3-O-TOLYL-PROPIONALDEHYDE, 2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-(4-amino-6,7-dimethoxy-2-quinaolinyl)-4-piperidinyl)-, monohydrochloride, 1-[1- -4-piperidyl]-3H-benzoimidazol-2-onehydrochloride, 3-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride, 1-[1-(4-AMINO-6,7-DIMETHOXY-QUINAZOLIN-2-YL)-4-PIPERIDYL]-3H-BENZOIMID AZOL-2-ONE HYDROCHLORIDE
| Molecular Formula | C22H25ClN6O3 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 3.1355 |
| Topological Polar Surface Area | 111.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.16766 |
| Heavy Atoms | 32 |
| Complexity | 1326.7383 |
Chemical Identifiers
| CAS Number | 132764-69-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)N)OC.Cl |
Product Overview
3-O-TOLYL-PROPIONALDEHYDE (CAS 132764-69-3), with molecular formula C22H25ClN6O3 and molecular weight 456.17 g/mol. IUPAC: 3-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.
Chemical Property Profile of 3-O-TOLYL-PROPIONALDEHYDE
Property Insights of 3-O-TOLYL-PROPIONALDEHYDE
The XLogP value of 3.1355 indicates that 3-O-TOLYL-PROPIONALDEHYDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-TOLYL-PROPIONALDEHYDE. Following Lipinski's Rule of Five, 3-O-TOLYL-PROPIONALDEHYDE has 2 hydrogen bond donor(s) and 7 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 3-O-TOLYL-PROPIONALDEHYDE?
The CAS number of 3-O-TOLYL-PROPIONALDEHYDE is 132764-69-3.
What is the molecular formula of 3-O-TOLYL-PROPIONALDEHYDE?
The molecular formula of 3-O-TOLYL-PROPIONALDEHYDE is C22H25ClN6O3.
What is the molecular weight of 3-O-TOLYL-PROPIONALDEHYDE?
The molecular weight of 3-O-TOLYL-PROPIONALDEHYDE is 456.17 g/mol.
Where can I buy 3-O-TOLYL-PROPIONALDEHYDE?
You can request a quote for 3-O-TOLYL-PROPIONALDEHYDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-TOLYL-PROPIONALDEHYDE?
Yes, KEHONG BIO provides custom synthesis services for 3-O-TOLYL-PROPIONALDEHYDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.