MP 39
TL;DR: MP 39 (CAS 72050-76-1) is a chemical compound with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-4-ium-1-yl)ethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
Also Known As: 2,4,6-Cycloheptatriene-1-acetic acid, 2-(4-methylpiperazinyl)ethyl ester, hydrochloride, 2-(4-methylpiperazin-4-ium-1-yl)ethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride, 2,4,6-Cycloheptatriene-1-acetic acid, 2-(4-methyl-1-piperazinyl)ethyl ester, monohydrochloride, 2-(4-Methylpiperazin-1-yl)ethyl (cyclohepta-2,4,6-trien-1-yl)acetate--hydrogen chloride (1/1), RefChem:1061318
| Molecular Formula | C16H25ClN2O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | -2.95 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.16046 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 72050-76-1 |
|---|---|
| SMILES | C[NH+]1CCN(CC1)CCOC(=O)CC2C=CC=CC=C2.[Cl-] |
| InChIKey | YZMHHMGXIFFHKV-UHFFFAOYSA-N |
Product Overview
MP 39 (CAS 72050-76-1), with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol. IUPAC: 2-(4-methylpiperazin-4-ium-1-yl)ethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride.
Chemical Property Profile of MP 39
Property Insights of MP 39
The XLogP value of -2.95 indicates that MP 39 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 39 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MP 39 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 39?
The CAS number of MP 39 is 72050-76-1.
What is the molecular formula of MP 39?
The molecular formula of MP 39 is C16H25ClN2O2.
What is the molecular weight of MP 39?
The molecular weight of MP 39 is 312.16 g/mol.
Where can I buy MP 39?
You can request a quote for MP 39 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MP 39?
Yes, KEHONG BIO provides custom synthesis services for MP 39 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.