1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride
TL;DR: 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride (CAS 57860-69-2) is a chemical compound with molecular formula C37H48ClFN2O3 and molecular weight 622.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate;hydrochloride
Also Known As: 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride, [8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate hydrochloride, 8-[5-(4-Fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-(prop-2-yn-1-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-yl 4-(piperidin-1-yl)butanoate--hydrogen chloride (1/1), RefChem:234280
| Molecular Formula | C37H48ClFN2O3 |
|---|---|
| Molecular Weight | 622.33 g/mol |
| LogP | 7.8089 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 622.33374 |
| Heavy Atoms | 44 |
| Complexity | 1358.039 |
Chemical Identifiers
| CAS Number | 57860-69-2 |
|---|---|
| SMILES | CC(CCCC1=CC=C(C=C1)F)C2=CC3=C(C4=C(CCN(C4)CC#C)C(O3)(C)C)C(=C2)OC(=O)CCCN5CCCCC5.Cl |
Product Overview
1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride (CAS 57860-69-2), with molecular formula C37H48ClFN2O3 and molecular weight 622.33 g/mol. IUPAC: [8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate;hydrochloride.
Chemical Property Profile of 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride
Property Insights of 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride
The XLogP value of 7.8089 indicates that 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride has 0 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 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride?
The CAS number of 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride is 57860-69-2.
What is the molecular formula of 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride?
The molecular formula of 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride is C37H48ClFN2O3.
What is the molecular weight of 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride?
The molecular weight of 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride is 622.33 g/mol.
Where can I buy 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride?
You can request a quote for 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinebutyric acid, 1,3,4,5-tetrahydro-5,5-dimethyl-8-(4-(p-fluorophenyl)-1-methylbutyl)-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.