RefChem:220112
TL;DR: RefChem:220112 (CAS 104655-22-3) is a chemical compound with molecular formula C29H38Cl3N3O4 and molecular weight 597.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]aniline;trihydrochloride
Also Known As: 1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLMETHYL)-4-[3-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]PROPOXY]ANILINE TRIHYDROCHLORIDE, 1,4-BENZODIOXIN-2-METHANAMINE, 2,3-DIHYDRO-N-(4-(3-(4-(2-METHOXYPHENYL)-1-PIPERA, N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]aniline, N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]aniline trihydrochloride
| Molecular Formula | C29H38Cl3N3O4 |
|---|---|
| Molecular Weight | 597.19 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.1928 |
| Heavy Atoms | 39 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 104655-22-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)NCC4COC5=CC=CC=C5O4.Cl.Cl.Cl |
| InChIKey | UBHVDPWKQVRLPX-UHFFFAOYSA-N |
Product Overview
RefChem:220112 (CAS 104655-22-3), with molecular formula C29H38Cl3N3O4 and molecular weight 597.19 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]aniline;trihydrochloride.
Chemical Property Profile of RefChem:220112
Property Insights of RefChem:220112
The XLogP value of 5.8 indicates that RefChem:220112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, RefChem:220112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:220112 has 4 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:220112?
The CAS number of RefChem:220112 is 104655-22-3.
What is the molecular formula of RefChem:220112?
The molecular formula of RefChem:220112 is C29H38Cl3N3O4.
What is the molecular weight of RefChem:220112?
The molecular weight of RefChem:220112 is 597.19 g/mol.
Where can I buy RefChem:220112?
You can request a quote for RefChem:220112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.