RefChem:319297
TL;DR: RefChem:319297 (CAS 4061-35-2) is a chemical compound with molecular formula C22H30ClN3O2 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium chloride
Also Known As: Dimethyl((phenylcarbamoyl)methyl)(3-(2,6-xylylcarbamoyl)propyl)ammonium chloride, Ammonium, dimethyl((phenylcarbamoyl)methyl)(3-(2,6-xylylcarbamoyl)propyl)-, chloride, (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium chloride, (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium,chloride, RefChem:319297
| Molecular Formula | C22H30ClN3O2 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 0.74 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.20267 |
| Heavy Atoms | 28 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 4061-35-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CCC[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-] |
| InChIKey | FKDUESOKKBSVLY-UHFFFAOYSA-N |
Product Overview
RefChem:319297 (CAS 4061-35-2), with molecular formula C22H30ClN3O2 and molecular weight 403.20 g/mol. IUPAC: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:319297
Property Insights of RefChem:319297
The XLogP value of 0.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319297. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:319297 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319297 has 2 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 RefChem:319297?
The CAS number of RefChem:319297 is 4061-35-2.
What is the molecular formula of RefChem:319297?
The molecular formula of RefChem:319297 is C22H30ClN3O2.
What is the molecular weight of RefChem:319297?
The molecular weight of RefChem:319297 is 403.20 g/mol.
Where can I buy RefChem:319297?
You can request a quote for RefChem:319297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319297?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.