RefChem:326489
TL;DR: RefChem:326489 (CAS 100427-91-6) is a chemical compound with molecular formula C19H30Cl3N3O and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[3-(4-methylpiperazin-1-yl)propyl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine;trihydrochloride
Also Known As: C20H28N3O.3ClH.1/2H2O, C20-H28-N3-O.3Cl-H.1/2H2-O, 8-[3-(4-Methyl-1-piperazinyl)propyl]-6,7,8,9-tetrahydro[1]benzofuro[3,2-c]pyridine trihydrochloride, 8-[3-(4-methylpiperazin-1-yl)propyl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine trihydrochloride, D-arabino-Hexose, 3-amino-2,3,6-trideoxy-3-C-methyl-
| Molecular Formula | C19H30Cl3N3O |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.14545 |
| Heavy Atoms | 26 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 100427-91-6 |
|---|---|
| SMILES | CN1CCN(CC1)CCCC2CCC3=C(C2)C4=C(O3)C=CN=C4.Cl.Cl.Cl |
| InChIKey | SMDIBDUCMSWCFN-UHFFFAOYSA-N |
Product Overview
RefChem:326489 (CAS 100427-91-6), with molecular formula C19H30Cl3N3O and molecular weight 421.15 g/mol. IUPAC: 8-[3-(4-methylpiperazin-1-yl)propyl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine;trihydrochloride.
Chemical Property Profile of RefChem:326489
Property Insights of RefChem:326489
The XLogP value of 4.23 indicates that RefChem:326489 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.5 Ų, RefChem:326489 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326489 has 3 hydrogen bond donor(s) and 4 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:326489?
The CAS number of RefChem:326489 is 100427-91-6.
What is the molecular formula of RefChem:326489?
The molecular formula of RefChem:326489 is C19H30Cl3N3O.
What is the molecular weight of RefChem:326489?
The molecular weight of RefChem:326489 is 421.15 g/mol.
Where can I buy RefChem:326489?
You can request a quote for RefChem:326489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326489?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.