RefChem:375408
TL;DR: RefChem:375408 (CAS 63815-47-4) is a chemical compound with molecular formula C22H30ClNO5 and molecular weight 423.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride
Also Known As: KST-1B6927, 3-(2-(3,4-Dimethoxyphenyl)ethylamino)-1-(4-propionylphenoxy)propan-2-ol hydrochloride, 4'-(2-Hydroxy-3-((3,4-dimethoxyphenethyl)amino)propoxy)propiophenone, Propiophenone, 4'-(2-hydroxy-3-((3,4-dimethoxyphenethyl)amino)propoxy)-, hydrochloride, 1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)phenyl]propan-1-one hydrochloride(1:1)
| Molecular Formula | C22H30ClNO5 |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 3.29 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 423.18124 |
| Heavy Atoms | 29 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 63815-47-4 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl |
| InChIKey | HRJRZJOLESZKDG-UHFFFAOYSA-N |
Product Overview
RefChem:375408 (CAS 63815-47-4), with molecular formula C22H30ClNO5 and molecular weight 423.18 g/mol. IUPAC: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride.
Chemical Property Profile of RefChem:375408
Property Insights of RefChem:375408
The XLogP value of 3.29 indicates that RefChem:375408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:375408. Following Lipinski's Rule of Five, RefChem:375408 has 3 hydrogen bond donor(s) and 6 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:375408?
The CAS number of RefChem:375408 is 63815-47-4.
What is the molecular formula of RefChem:375408?
The molecular formula of RefChem:375408 is C22H30ClNO5.
What is the molecular weight of RefChem:375408?
The molecular weight of RefChem:375408 is 423.18 g/mol.
Where can I buy RefChem:375408?
You can request a quote for RefChem:375408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:375408?
Yes, KEHONG BIO provides custom synthesis services for RefChem:375408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.