RefChem:349730
TL;DR: RefChem:349730 (CAS 14187-10-1) is a chemical compound with molecular formula C31H37ClN2O2 and molecular weight 504.25436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Isonipecotic acid, 1-(3-(10,11-dihydro-5-dibenz(b,f)azepinyl)propyl)-4-phenyl-, ethyl ester, hydrochloride, Ethyl1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride, ISONIPECOTIC ACID, 1-(3-(10,11-DIHYDRO-5-DIBENZ(b,f)AZEPINYL)PROPYL)-4-PHENYL-,, 4-Piperidinecarboxylic acid, 1-[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-4-phenyl-, ethyl ester, monohydrochloride, ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Technical Specifications
| Molecular Formula | C31H37ClN2O2 |
| Molecular Weight | 504.25436 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.25436 Da |
| Heavy Atoms | 36 |
| Complexity | 643.0 |
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C5=CC=CC=C5.[Cl-] |
| InChIKey | BNWXOUZTYWIUBX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349730
Property Insights of RefChem:349730
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349730. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:349730 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349730 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:349730?
The CAS number of RefChem:349730 is 14187-10-1.
What is the molecular formula of RefChem:349730?
The molecular formula of RefChem:349730 is C31H37ClN2O2.
What is the molecular weight of RefChem:349730?
The molecular weight of RefChem:349730 is 504.25436 g/mol.
Where can I buy RefChem:349730?
You can request a quote for RefChem:349730 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349730?
Yes, CoreyChem provides custom synthesis services for RefChem:349730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.