Menabitan Hydrochloride
TL;DR: Menabitan Hydrochloride (CAS 58019-50-4) is a chemical compound with molecular formula C37H58Cl2N2O3 and molecular weight 648.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate;dihydrochloride
Also Known As: Menabitan hydrochloride, Menabitan HCl, MENABITAN, Menabitan hydrochloride [USAN], Menabitan dihydrochloride
| Molecular Formula | C37H58Cl2N2O3 |
|---|---|
| Molecular Weight | 648.38 g/mol |
| LogP | 8.9196 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 648.38245 |
| Heavy Atoms | 44 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 58019-50-4 |
|---|---|
| SMILES | CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC#C)C(O2)(C)C)C(=C1)OC(=O)C(C)CCN4CCCCC4C.Cl.Cl |
| InChIKey | VYBDZIGAEAYRMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Menabitan Hydrochloride (CAS 58019-50-4), with molecular formula C37H58Cl2N2O3 and molecular weight 648.38 g/mol. IUPAC: [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate;dihydrochloride.
Chemical Property Profile of Menabitan Hydrochloride
Property Insights of Menabitan Hydrochloride
The XLogP value of 8.9196 indicates that Menabitan Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Menabitan Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Menabitan Hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Menabitan Hydrochloride?
The CAS number of Menabitan Hydrochloride is 58019-50-4.
What is the molecular formula of Menabitan Hydrochloride?
The molecular formula of Menabitan Hydrochloride is C37H58Cl2N2O3.
What is the molecular weight of Menabitan Hydrochloride?
The molecular weight of Menabitan Hydrochloride is 648.38 g/mol.
Where can I buy Menabitan Hydrochloride?
You can request a quote for Menabitan Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Menabitan Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Menabitan Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.