ChemDiv1_028851
TL;DR: ChemDiv1_028851 (CAS 313702-61-3) is a chemical compound with molecular formula C26H37NO4 and molecular weight 427.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine
Also Known As: ChemDiv1_028851, [(3,4-DIMETHOXYPHENYL)METHYL]({2-[2-ETHYL-4-(4-METHOXYPHENYL)-2-METHYLOXAN-4-YL]ETHYL})AMINE, N-(3,4-dimethoxybenzyl)-2-(2-ethyl-4-(4-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethanamine, N-(3,4-dimethoxybenzyl)-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl]ethanamine, N-[(3,4-dimethoxyphenyl)methyl]-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine
| Molecular Formula | C26H37NO4 |
|---|---|
| Molecular Weight | 427.27 g/mol |
| LogP | 5.1092 |
| Topological Polar Surface Area | 48.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.27225 |
| Heavy Atoms | 31 |
| Complexity | 837.80066 |
Chemical Identifiers
| CAS Number | 313702-61-3 |
|---|---|
| SMILES | CCC1(CC(CCO1)(CCNCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC)C |
Product Overview
ChemDiv1_028851 (CAS 313702-61-3), with molecular formula C26H37NO4 and molecular weight 427.27 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine.
Chemical Property Profile of ChemDiv1_028851
Property Insights of ChemDiv1_028851
The XLogP value of 5.1092 indicates that ChemDiv1_028851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.95 Ų, ChemDiv1_028851 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028851 has 1 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 ChemDiv1_028851?
The CAS number of ChemDiv1_028851 is 313702-61-3.
What is the molecular formula of ChemDiv1_028851?
The molecular formula of ChemDiv1_028851 is C26H37NO4.
What is the molecular weight of ChemDiv1_028851?
The molecular weight of ChemDiv1_028851 is 427.27 g/mol.
Where can I buy ChemDiv1_028851?
You can request a quote for ChemDiv1_028851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028851?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.