RefChem:349731
TL;DR: RefChem:349731 (CAS 14120-84-4) is a chemical compound with molecular formula C32H36ClNO3 and molecular weight 517.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-oxo-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Isonipecotic acid, 1-(3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-oxopropyl)-4-phenyl-, ethyl ester, hydrobromide, ISONIPECOTIC ACID, 1-(3-(10,11-DIHYDRO-5H-DIBENZO(a,d)CYCLOHEPTEN-5-YL)-3-OXOPRO, 4-Piperidinecarboxylic acid, 1-[3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-3-oxopropyl]-4-phenyl-, ethyl ester, hydrobromide, RefChem:349731
| Molecular Formula | C32H36ClNO3 |
|---|---|
| Molecular Weight | 517.24 g/mol |
| LogP | 1.06 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.23834 |
| Heavy Atoms | 37 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 14120-84-4 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5.[Cl-] |
| InChIKey | VEIYSFBRYDMOOS-UHFFFAOYSA-N |
Product Overview
RefChem:349731 (CAS 14120-84-4), with molecular formula C32H36ClNO3 and molecular weight 517.24 g/mol. IUPAC: ethyl 1-[3-oxo-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:349731
Property Insights of RefChem:349731
The XLogP value of 1.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349731. With a topological polar surface area (TPSA) of 47.8 Ų, RefChem:349731 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349731 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349731?
The CAS number of RefChem:349731 is 14120-84-4.
What is the molecular formula of RefChem:349731?
The molecular formula of RefChem:349731 is C32H36ClNO3.
What is the molecular weight of RefChem:349731?
The molecular weight of RefChem:349731 is 517.24 g/mol.
Where can I buy RefChem:349731?
You can request a quote for RefChem:349731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349731?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.