RefChem:295699
TL;DR: RefChem:295699 (CAS 14120-80-0) is a chemical compound with molecular formula C31H34BrNO2 and molecular weight 531.18 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-hexaenylidene)ethyl]piperidin-4-yl] propanoate;hydrobromide
Also Known As: 4-Piperidinol, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-phenyl-, propionate, hydrobromide, 1-[2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)ethyl]-4-phenylpiperidin-4-yl propanoate--hydrogen bromide (1/1), 4-Piperidinol, 1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)ethyl]-4-phenyl-, propanoate (ester), hydrobromide, RefChem:295699
| Molecular Formula | C31H34BrNO2 |
|---|---|
| Molecular Weight | 531.18 g/mol |
| LogP | 6.7393 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.1773 |
| Heavy Atoms | 35 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 14120-80-0 |
|---|---|
| SMILES | CCC(=O)OC1(CCN(CC1)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42)C5=CC=CC=C5.Br |
| InChIKey | ZMPJVCAFGVXXFZ-UHFFFAOYSA-N |
Product Overview
RefChem:295699 (CAS 14120-80-0), with molecular formula C31H34BrNO2 and molecular weight 531.18 g/mol. IUPAC: [4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperidin-4-yl] propanoate;hydrobromide.
Chemical Property Profile of RefChem:295699
Property Insights of RefChem:295699
The XLogP value of 6.7393 indicates that RefChem:295699 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:295699 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:295699 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:295699?
The CAS number of RefChem:295699 is 14120-80-0.
What is the molecular formula of RefChem:295699?
The molecular formula of RefChem:295699 is C31H34BrNO2.
What is the molecular weight of RefChem:295699?
The molecular weight of RefChem:295699 is 531.18 g/mol.
Where can I buy RefChem:295699?
You can request a quote for RefChem:295699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:295699?
Yes, KEHONG BIO provides custom synthesis services for RefChem:295699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.