RefChem:1054503
TL;DR: RefChem:1054503 (CAS 63867-06-1) is a chemical compound with molecular formula C32H52Cl6N4O3 and molecular weight 750.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-(5-chloro-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperazine);hydrate;tetrahydrochloride
Also Known As: 1-(5-chloro-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperazine hydrochloridehydrate(2:4:1), 1-(5-Chloro-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperazine--hydrogen chloride--water (2/4/1), Piperazine, 4-methyl-1-(1,2,3,4-tetrahydro-8-chloro-5-methoxynaphthyl)-, dihydrochloride, hemihydrate, 1-(5-chloro-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperazine hydrate tetrahydrochloride, RefChem:1054503
| Molecular Formula | C32H52Cl6N4O3 |
|---|---|
| Molecular Weight | 750.22 g/mol |
| LogP | 6.81 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 752.2141 |
| Heavy Atoms | 45 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 63867-06-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2CCCC3=C(C=CC(=C23)OC)Cl.CN1CCN(CC1)C2CCCC3=C(C=CC(=C23)OC)Cl.O.Cl.Cl.Cl.Cl |
| InChIKey | YEBGIYJNBBOWOT-UHFFFAOYSA-N |
Product Overview
RefChem:1054503 (CAS 63867-06-1), with molecular formula C32H52Cl6N4O3 and molecular weight 750.22 g/mol. IUPAC: bis(1-(5-chloro-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperazine);hydrate;tetrahydrochloride.
Chemical Property Profile of RefChem:1054503
Property Insights of RefChem:1054503
The XLogP value of 6.81 indicates that RefChem:1054503 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.4 Ų, RefChem:1054503 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054503 has 5 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:1054503?
The CAS number of RefChem:1054503 is 63867-06-1.
What is the molecular formula of RefChem:1054503?
The molecular formula of RefChem:1054503 is C32H52Cl6N4O3.
What is the molecular weight of RefChem:1054503?
The molecular weight of RefChem:1054503 is 750.22 g/mol.
Where can I buy RefChem:1054503?
You can request a quote for RefChem:1054503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054503?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.