RefChem:328540
TL;DR: RefChem:328540 (CAS 42740-32-9) is a chemical compound with molecular formula C26H29Cl3N2O3 and molecular weight 522.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2,4-dichlorophenyl)-(phenylcarbamoyloxy)methyl]phenoxy]ethyl-diethylazanium chloride
Also Known As: Benzyl alcohol, 2,4-dichloro-alpha-(4-(2-(diethylamino)ethoxy)phenyl)-, phenylcarbamate (ester), monohydrochloride, 2-[4-[(2,4-dichlorophenyl)-(phenylcarbamoyloxy)methyl]phenoxy]ethyl-diethylazanium chloride, BENZYL ALCOHOL, 2,4-DICHLORO-alpha-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-, PHENYLCA, RefChem:328540
| Molecular Formula | C26H29Cl3N2O3 |
|---|---|
| Molecular Weight | 522.12 g/mol |
| LogP | 2.64 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 522.1244 |
| Heavy Atoms | 34 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 42740-32-9 |
|---|---|
| SMILES | CC[NH+](CC)CCOC1=CC=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)OC(=O)NC3=CC=CC=C3.[Cl-] |
| InChIKey | IOOKPKFWLTWGQV-UHFFFAOYSA-N |
Product Overview
RefChem:328540 (CAS 42740-32-9), with molecular formula C26H29Cl3N2O3 and molecular weight 522.12 g/mol. IUPAC: 2-[4-[(2,4-dichlorophenyl)-(phenylcarbamoyloxy)methyl]phenoxy]ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:328540
Property Insights of RefChem:328540
The XLogP value of 2.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328540. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:328540 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:328540 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:328540?
The CAS number of RefChem:328540 is 42740-32-9.
What is the molecular formula of RefChem:328540?
The molecular formula of RefChem:328540 is C26H29Cl3N2O3.
What is the molecular weight of RefChem:328540?
The molecular weight of RefChem:328540 is 522.12 g/mol.
Where can I buy RefChem:328540?
You can request a quote for RefChem:328540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328540?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.