RefChem:295868
TL;DR: RefChem:295868 (CAS 40943-86-0) is a chemical compound with molecular formula C29H42Cl2N2O3 and molecular weight 536.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate;dihydrochloride
Also Known As: 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, phenoxyacetate, dihydrochloride, 5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl phenoxyacetate dihydrochloride, [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] 2-phenoxyacetate Dihydrochloride, [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate dihydrochloride, [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate,dihydrochloride
| Molecular Formula | C29H42Cl2N2O3 |
|---|---|
| Molecular Weight | 536.26 g/mol |
| LogP | 5.954 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.25726 |
| Heavy Atoms | 36 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 40943-86-0 |
|---|---|
| SMILES | CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)COC4=CC=CC=C4.Cl.Cl |
| InChIKey | CUTUTUGMLSMAKY-UHFFFAOYSA-N |
Product Overview
RefChem:295868 (CAS 40943-86-0), with molecular formula C29H42Cl2N2O3 and molecular weight 536.26 g/mol. IUPAC: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate;dihydrochloride.
Chemical Property Profile of RefChem:295868
Property Insights of RefChem:295868
The XLogP value of 5.954 indicates that RefChem:295868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, RefChem:295868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:295868 has 2 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 RefChem:295868?
The CAS number of RefChem:295868 is 40943-86-0.
What is the molecular formula of RefChem:295868?
The molecular formula of RefChem:295868 is C29H42Cl2N2O3.
What is the molecular weight of RefChem:295868?
The molecular weight of RefChem:295868 is 536.26 g/mol.
Where can I buy RefChem:295868?
You can request a quote for RefChem:295868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:295868?
Yes, KEHONG BIO provides custom synthesis services for RefChem:295868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.