RefChem:367616
TL;DR: RefChem:367616 (CAS 3601-83-0) is a chemical compound with molecular formula C16H22Cl2N4O2 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol;dihydrochloride
Also Known As: C16H20N4O2.2ClH.1/2H2O, p-Cresol, 2-methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1), C16-H20-N4-O2.2Cl-H.1/2H2-O, 1-(3-Methoxy-4-hydroxybenzyl)-4-(2-pyrimidyl)-piperazine hydrochloride hydrate, 2-Methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-p-cresol hydrochloride hydrate (2:4:1)
| Molecular Formula | C16H22Cl2N4O2 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 2.36 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.11197 |
| Heavy Atoms | 24 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 3601-83-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)O.Cl.Cl |
| InChIKey | NEJSHLSJMMAVQZ-UHFFFAOYSA-N |
Product Overview
RefChem:367616 (CAS 3601-83-0), with molecular formula C16H22Cl2N4O2 and molecular weight 372.11 g/mol. IUPAC: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol;dihydrochloride.
Chemical Property Profile of RefChem:367616
Property Insights of RefChem:367616
The XLogP value of 2.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367616. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367616. Following Lipinski's Rule of Five, RefChem:367616 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:367616?
The CAS number of RefChem:367616 is 3601-83-0.
What is the molecular formula of RefChem:367616?
The molecular formula of RefChem:367616 is C16H22Cl2N4O2.
What is the molecular weight of RefChem:367616?
The molecular weight of RefChem:367616 is 372.11 g/mol.
Where can I buy RefChem:367616?
You can request a quote for RefChem:367616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367616?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.