X 100
TL;DR: X 100 (CAS 3579-66-6) is a chemical compound with molecular formula C25H37ClN2O2 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride
Also Known As: X-100, X 100, Acetamide, N-(2-(dimethylamino)ethyl)-2,2-diphenyl-2-(2-ethylbutoxy)-N-methyl-, hydrochloride, 199214-EP2270505A1, alpha-(2-Aethylbutoxy)benzilsaeure-(N',N,N-trimethylaethylen)amid hydrochlorid [German]
| Molecular Formula | C25H37ClN2O2 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 432.25436 |
| Heavy Atoms | 30 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 3579-66-6 |
|---|---|
| SMILES | CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)CC[NH+](C)C.[Cl-] |
| InChIKey | NNKSRGUMPLVLGD-UHFFFAOYSA-N |
Product Overview
X 100 (CAS 3579-66-6), with molecular formula C25H37ClN2O2 and molecular weight 432.25 g/mol. IUPAC: 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride.
Chemical Property Profile of X 100
Property Insights of X 100
The XLogP value of -0.01 indicates that X 100 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, X 100 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, X 100 has 1 hydrogen bond donor(s) and 3 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 X 100?
The CAS number of X 100 is 3579-66-6.
What is the molecular formula of X 100?
The molecular formula of X 100 is C25H37ClN2O2.
What is the molecular weight of X 100?
The molecular weight of X 100 is 432.25 g/mol.
Where can I buy X 100?
You can request a quote for X 100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X 100?
Yes, KEHONG BIO provides custom synthesis services for X 100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.