RefChem:321513
TL;DR: RefChem:321513 (CAS 83130-77-2) is a chemical compound with molecular formula C25H33ClN2O4 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-ethoxy-3,5-dimethoxybenzamide;hydrochloride
Also Known As: exo-3,5-Dimethoxy-2-ethoxy-N-(8-benzyl-8-azabicyclo(3.2.1)oct-3-yl)benzamide hydrochloride, Benzamide, 3,5-dimethoxy-2-ethoxy-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride, exo-, N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-ethoxy-3,5-dimethoxybenzamide hydrochloride, N-(8-Benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-ethoxy-3,5-dimethoxybenzene-1-carboximidic acid--hydrogen chloride (1/1), RefChem:321513
| Molecular Formula | C25H33ClN2O4 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 4.4497 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.2129 |
| Heavy Atoms | 32 |
| Complexity | 894.31494 |
Chemical Identifiers
| CAS Number | 83130-77-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1OC)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4.Cl |
Product Overview
RefChem:321513 (CAS 83130-77-2), with molecular formula C25H33ClN2O4 and molecular weight 460.21 g/mol. IUPAC: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-ethoxy-3,5-dimethoxybenzamide;hydrochloride.
Chemical Property Profile of RefChem:321513
Property Insights of RefChem:321513
The XLogP value of 4.4497 indicates that RefChem:321513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321513. Following Lipinski's Rule of Five, RefChem:321513 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:321513?
The CAS number of RefChem:321513 is 83130-77-2.
What is the molecular formula of RefChem:321513?
The molecular formula of RefChem:321513 is C25H33ClN2O4.
What is the molecular weight of RefChem:321513?
The molecular weight of RefChem:321513 is 460.21 g/mol.
Where can I buy RefChem:321513?
You can request a quote for RefChem:321513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321513?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.