RefChem:268370
TL;DR: RefChem:268370 (CAS 81816-76-4) is a chemical compound with molecular formula C21H28Cl2N2O3 and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol;dihydrochloride
Also Known As: 2H-1-Benzopyran-6-methanol, 3,4-dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-, dihydrochloride, 3,4-Dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-2H-1-benzopyran-6-methanol dihydrochloride, [3-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol dihydrochloride, {3-[4-(2-Methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-1-benzopyran-6-yl}methanol--hydrogen chloride (1/2), RefChem:268370
| Molecular Formula | C21H28Cl2N2O3 |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 3.16 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.1477 |
| Heavy Atoms | 28 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 81816-76-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3CC4=C(C=CC(=C4)CO)OC3.Cl.Cl |
| InChIKey | VJHOQZMPVXYTGB-UHFFFAOYSA-N |
Product Overview
RefChem:268370 (CAS 81816-76-4), with molecular formula C21H28Cl2N2O3 and molecular weight 426.15 g/mol. IUPAC: [3-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol;dihydrochloride.
Chemical Property Profile of RefChem:268370
Property Insights of RefChem:268370
The XLogP value of 3.16 indicates that RefChem:268370 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, RefChem:268370 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268370 has 3 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:268370?
The CAS number of RefChem:268370 is 81816-76-4.
What is the molecular formula of RefChem:268370?
The molecular formula of RefChem:268370 is C21H28Cl2N2O3.
What is the molecular weight of RefChem:268370?
The molecular weight of RefChem:268370 is 426.15 g/mol.
Where can I buy RefChem:268370?
You can request a quote for RefChem:268370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268370?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.