RefChem:345101
TL;DR: RefChem:345101 (CAS 16809-74-8) is a chemical compound with molecular formula C40H58N2O10S2 and molecular weight 790.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine);naphthalene-1,5-disulfonic acid
Also Known As: Ethylamine, 2-((6-methoxythymyl)oxy)-N,N-dimethyl-, 1,5-naphthalenedisulfonate (2:1), 2-((6-Methoxythymyl)oxy)-N,N-dimethylethylamine 1,5-naphthalenedisulfonate (2:1), 2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine; naphthalene-1,5-disulfonic acid, Naphthalene-1,5-disulfonic acid--2-[4-methoxy-5-methyl-2-(propan-2-yl)phenoxy]-N,N-dimethylethan-1-amine (1/2), RefChem:345101
| Molecular Formula | C40H58N2O10S2 |
|---|---|
| Molecular Weight | 790.35 g/mol |
| LogP | 7.46804 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 790.3533 |
| Heavy Atoms | 54 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 16809-74-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)C.CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O |
| InChIKey | OSJVOMBRZXQEMD-UHFFFAOYSA-N |
Product Overview
RefChem:345101 (CAS 16809-74-8), with molecular formula C40H58N2O10S2 and molecular weight 790.35 g/mol. IUPAC: bis(2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine);naphthalene-1,5-disulfonic acid.
Chemical Property Profile of RefChem:345101
Property Insights of RefChem:345101
The XLogP value of 7.46804 indicates that RefChem:345101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting RefChem:345101 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:345101 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:345101?
The CAS number of RefChem:345101 is 16809-74-8.
What is the molecular formula of RefChem:345101?
The molecular formula of RefChem:345101 is C40H58N2O10S2.
What is the molecular weight of RefChem:345101?
The molecular weight of RefChem:345101 is 790.35 g/mol.
Where can I buy RefChem:345101?
You can request a quote for RefChem:345101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345101?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.