RefChem:234754
TL;DR: RefChem:234754 (CAS 98696-75-4) is a chemical compound with molecular formula C19H28ClN3O3 and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one;hydrochloride
Also Known As: 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1-methyl-1H-pyrazol-4-yl)-, monohydrochloride, 1-[2-(2-hydroxy-3-propylamino-propoxy)phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one Hydrochloride, 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one hydrochloride, 1-{2-[2-Hydroxy-3-(propylamino)propoxy]phenyl}-3-(1-methyl-1H-pyrazol-4-yl)propan-1-one--hydrogen chloride (1/1), RefChem:234754
| Molecular Formula | C19H28ClN3O3 |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 2.3967 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 381.18192 |
| Heavy Atoms | 26 |
| Complexity | 675.5539 |
Chemical Identifiers
| CAS Number | 98696-75-4 |
|---|---|
| SMILES | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CN(N=C2)C)O.Cl |
Product Overview
RefChem:234754 (CAS 98696-75-4), with molecular formula C19H28ClN3O3 and molecular weight 381.18 g/mol. IUPAC: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one;hydrochloride.
Chemical Property Profile of RefChem:234754
Property Insights of RefChem:234754
The XLogP value of 2.3967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:234754. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:234754. Following Lipinski's Rule of Five, RefChem:234754 has 2 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 RefChem:234754?
The CAS number of RefChem:234754 is 98696-75-4.
What is the molecular formula of RefChem:234754?
The molecular formula of RefChem:234754 is C19H28ClN3O3.
What is the molecular weight of RefChem:234754?
The molecular weight of RefChem:234754 is 381.18 g/mol.
Where can I buy RefChem:234754?
You can request a quote for RefChem:234754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234754?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.