RefChem:332990
TL;DR: RefChem:332990 (CAS 27467-05-6) is a chemical compound with molecular formula C28H34ClN3O6 and molecular weight 543.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Also Known As: Carbanilic acid, diester with (2,3-dimethoxyphenethyl)iminodiethanol, hydrochloride, Ethanol, 2,2'-(2,3-dimethoxyphenethyl)iminodi-, dicarbanilate, hydrochloride, 2-(2,3-Dimethoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azaniumchloride, 2-(2,3-dimethoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride, Ethanol, 2,2'-[(2,3-dimethoxyphenethyl)imino]di-, dicarbanilate (ester), monohydrochloride
| Molecular Formula | C28H34ClN3O6 |
|---|---|
| Molecular Weight | 543.21 g/mol |
| LogP | 0.63 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 543.2136 |
| Heavy Atoms | 38 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 27467-05-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)CC[NH+](CCOC(=O)NC2=CC=CC=C2)CCOC(=O)NC3=CC=CC=C3.[Cl-] |
| InChIKey | LFLQHEFCEAEWQN-UHFFFAOYSA-N |
Product Overview
RefChem:332990 (CAS 27467-05-6), with molecular formula C28H34ClN3O6 and molecular weight 543.21 g/mol. IUPAC: 2-(2,3-dimethoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride.
Chemical Property Profile of RefChem:332990
Property Insights of RefChem:332990
The XLogP value of 0.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332990. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332990. Following Lipinski's Rule of Five, RefChem:332990 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:332990?
The CAS number of RefChem:332990 is 27467-05-6.
What is the molecular formula of RefChem:332990?
The molecular formula of RefChem:332990 is C28H34ClN3O6.
What is the molecular weight of RefChem:332990?
The molecular weight of RefChem:332990 is 543.21 g/mol.
Where can I buy RefChem:332990?
You can request a quote for RefChem:332990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332990?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.