NCIOpen2_007518
TL;DR: NCIOpen2_007518 (CAS 6942-06-9) is a chemical compound with molecular formula C22H38NO4+ and molecular weight 380.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carboxymethyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium
Also Known As: NCIOpen2_007518, carboxymethyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium, N-(Carboxymethyl)-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethan-1-aminium
| Molecular Formula | C22H38NO4+ |
|---|---|
| Molecular Weight | 380.28 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 380.2801 |
| Heavy Atoms | 27 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 6942-06-9 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC(=O)O |
| InChIKey | ZWJIAMZFWPMDNW-UHFFFAOYSA-O |
Product Overview
NCIOpen2_007518 (CAS 6942-06-9), with molecular formula C22H38NO4+ and molecular weight 380.28 g/mol. IUPAC: carboxymethyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium.
Chemical Property Profile of NCIOpen2_007518
Property Insights of NCIOpen2_007518
The XLogP value of 4.8 indicates that NCIOpen2_007518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, NCIOpen2_007518 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_007518 has 1 hydrogen bond donor(s) and 4 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 NCIOpen2_007518?
The CAS number of NCIOpen2_007518 is 6942-06-9.
What is the molecular formula of NCIOpen2_007518?
The molecular formula of NCIOpen2_007518 is C22H38NO4+.
What is the molecular weight of NCIOpen2_007518?
The molecular weight of NCIOpen2_007518 is 380.28 g/mol.
Where can I buy NCIOpen2_007518?
You can request a quote for NCIOpen2_007518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007518?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.