RefChem:332993
TL;DR: RefChem:332993 (CAS 67195-96-4) is a chemical compound with molecular formula C31H40ClN3O6 and molecular weight 585.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Also Known As: Carbanilic acid, diester with 2,2'-((2-butoxy-3-methoxyphenethyl)nitrilo)diethanol, hydrochloride, Ethanol, 2,2'-((2-butoxy-3-methoxyphenethyl)nitrilo)di-, dicarbanilate, hydrochloride, 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride, Ethanol, 2,2'-[[2-(2,3-dibutoxyphenyl)ethyl]imino]bis-, bis(phenylcarbamate) (ester), monohydrochloride, RefChem:332993
| Molecular Formula | C31H40ClN3O6 |
|---|---|
| Molecular Weight | 585.26 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 585.26056 |
| Heavy Atoms | 41 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 67195-96-4 |
|---|---|
| SMILES | CCCCOC1=C(C=CC=C1OC)CC[NH+](CCOC(=O)NC2=CC=CC=C2)CCOC(=O)NC3=CC=CC=C3.[Cl-] |
| InChIKey | NWEMTIHHEYAQDG-UHFFFAOYSA-N |
Product Overview
RefChem:332993 (CAS 67195-96-4), with molecular formula C31H40ClN3O6 and molecular weight 585.26 g/mol. IUPAC: 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride.
Chemical Property Profile of RefChem:332993
Property Insights of RefChem:332993
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332993. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332993. Following Lipinski's Rule of Five, RefChem:332993 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:332993?
The CAS number of RefChem:332993 is 67195-96-4.
What is the molecular formula of RefChem:332993?
The molecular formula of RefChem:332993 is C31H40ClN3O6.
What is the molecular weight of RefChem:332993?
The molecular weight of RefChem:332993 is 585.26 g/mol.
Where can I buy RefChem:332993?
You can request a quote for RefChem:332993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332993?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.