RefChem:295697
TL;DR: RefChem:295697 (CAS 14120-79-7) is a chemical compound with molecular formula C31H36BrNO2 and molecular weight 533.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-4-yl] propanoate;hydrobromide
Also Known As: 4-Piperidinol, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)ethyl)-4-phenyl-, propionate, hydrobromide, 1-[2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)ethyl]-4-phenylpiperidin-4-yl propanoate--hydrogen bromide (1/1), 4-Piperidinol, 1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)ethyl]-4-phenyl-, propanoate (ester), hydrobromide, RefChem:295697
| Molecular Formula | C31H36BrNO2 |
|---|---|
| Molecular Weight | 533.19 g/mol |
| LogP | 6.8296 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.19293 |
| Heavy Atoms | 35 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 14120-79-7 |
|---|---|
| SMILES | CCC(=O)OC1(CCN(CC1)CCC2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5.Br |
| InChIKey | BWRQJEGXIVABHV-UHFFFAOYSA-N |
Product Overview
RefChem:295697 (CAS 14120-79-7), with molecular formula C31H36BrNO2 and molecular weight 533.19 g/mol. IUPAC: [4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-4-yl] propanoate;hydrobromide.
Chemical Property Profile of RefChem:295697
Property Insights of RefChem:295697
The XLogP value of 6.8296 indicates that RefChem:295697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:295697 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:295697 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:295697?
The CAS number of RefChem:295697 is 14120-79-7.
What is the molecular formula of RefChem:295697?
The molecular formula of RefChem:295697 is C31H36BrNO2.
What is the molecular weight of RefChem:295697?
The molecular weight of RefChem:295697 is 533.19 g/mol.
Where can I buy RefChem:295697?
You can request a quote for RefChem:295697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:295697?
Yes, KEHONG BIO provides custom synthesis services for RefChem:295697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.