RefChem:228813
TL;DR: RefChem:228813 (CAS 16785-29-8) is a chemical compound with molecular formula C24H36Cl2N2O5 and molecular weight 502.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-ol;dihydrochloride
Also Known As: 1-Butanol, 4-(4-(o-methoxyphenyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride, 4-(4-(o-Methoxyphenyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-1-butanol dihydrochloride, 4-(4-Hydroxy-4-(3,4,5-trimethoxyphenyl)butyl)-1-(o-methoxyphenyl)piperazine dihydrochloride, 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-ol dihydrochloride, 1-Piperazinebutanol, 4-(2-methoxyphenyl)-.alpha.-(3,4,5-trimethoxyphenyl)-, dihydrochloride
| Molecular Formula | C24H36Cl2N2O5 |
|---|---|
| Molecular Weight | 502.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.20013 |
| Heavy Atoms | 33 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 16785-29-8 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCCC(C3=CC(=C(C(=C3)OC)OC)OC)O.Cl.Cl |
| InChIKey | FVXYXISSOSORGI-UHFFFAOYSA-N |
Product Overview
RefChem:228813 (CAS 16785-29-8), with molecular formula C24H36Cl2N2O5 and molecular weight 502.20 g/mol. IUPAC: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-ol;dihydrochloride.
Chemical Property Profile of RefChem:228813
Property Insights of RefChem:228813
The XLogP value of 4.2 indicates that RefChem:228813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228813. Following Lipinski's Rule of Five, RefChem:228813 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228813?
The CAS number of RefChem:228813 is 16785-29-8.
What is the molecular formula of RefChem:228813?
The molecular formula of RefChem:228813 is C24H36Cl2N2O5.
What is the molecular weight of RefChem:228813?
The molecular weight of RefChem:228813 is 502.20 g/mol.
Where can I buy RefChem:228813?
You can request a quote for RefChem:228813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228813?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.