MP 47
TL;DR: MP 47 (CAS 72050-77-2) is a chemical compound with molecular formula C17H27ClN2O2 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
Also Known As: MP 47, 2,4,6-Cycloheptatriene-1-acetic acid, 3-(4-methylpiperazin-1-yl)propyl ester, hydrochloride, 3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride, 2,4,6-Cycloheptatriene-1-acetic acid, 3-(4-methyl-1-piperazinyl)propyl ester, monohydrochloride
| Molecular Formula | C17H27ClN2O2 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | -2.56 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.17612 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 72050-77-2 |
|---|---|
| SMILES | C[NH+]1CCN(CC1)CCCOC(=O)CC2C=CC=CC=C2.[Cl-] |
| InChIKey | MGRUNNGBZNIOKF-UHFFFAOYSA-N |
Product Overview
MP 47 (CAS 72050-77-2), with molecular formula C17H27ClN2O2 and molecular weight 326.18 g/mol. IUPAC: 3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride.
Chemical Property Profile of MP 47
Property Insights of MP 47
The XLogP value of -2.56 indicates that MP 47 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, MP 47 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MP 47 has 1 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 MP 47?
The CAS number of MP 47 is 72050-77-2.
What is the molecular formula of MP 47?
The molecular formula of MP 47 is C17H27ClN2O2.
What is the molecular weight of MP 47?
The molecular weight of MP 47 is 326.18 g/mol.
Where can I buy MP 47?
You can request a quote for MP 47 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MP 47?
Yes, KEHONG BIO provides custom synthesis services for MP 47 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.