RefChem:77099
TL;DR: RefChem:77099 (CAS 68928-63-2) is a chemical compound with molecular formula C21H30ClNO and molecular weight 347.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium chloride
Also Known As: 3-(4-(alpha-Cumyl)phenoxy)propyltrimethylammonium chloride, 3-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]PROPYLTRIMETHYLAMMONIUM CHLORIDE, n,n,n-trimethyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-1-aminium chloride, 1-Propanaminium, N,N,N-trimethyl-3-(4-(1-methyl-1-phenylethyl)phenoxy)-, chloride, 1-Propanaminium, N,N,N-trimethyl-3-(4-(1-methyl-1-phenylethyl)phenoxy)-, chloride (1:1)
| Molecular Formula | C21H30ClNO |
|---|---|
| Molecular Weight | 347.20 g/mol |
| LogP | 1.49 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.2016 |
| Heavy Atoms | 24 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 68928-63-2 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[N+](C)(C)C.[Cl-] |
| InChIKey | NXALIGSWMVWYHB-UHFFFAOYSA-M |
Product Overview
RefChem:77099 (CAS 68928-63-2), with molecular formula C21H30ClNO and molecular weight 347.20 g/mol. IUPAC: trimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium chloride.
Chemical Property Profile of RefChem:77099
Property Insights of RefChem:77099
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77099. With a topological polar surface area (TPSA) of 9.2 Ų, RefChem:77099 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77099 has 0 hydrogen bond donor(s) and 2 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:77099?
The CAS number of RefChem:77099 is 68928-63-2.
What is the molecular formula of RefChem:77099?
The molecular formula of RefChem:77099 is C21H30ClNO.
What is the molecular weight of RefChem:77099?
The molecular weight of RefChem:77099 is 347.20 g/mol.
Where can I buy RefChem:77099?
You can request a quote for RefChem:77099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77099?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.