RefChem:332736
TL;DR: RefChem:332736 (CAS 72017-27-7) is a chemical compound with molecular formula C28H47N3O10 and molecular weight 585.33 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-(propylcarbamoyloxy)ethyl]azanium;3-hydroxy-3-oxopropanoate
Also Known As: Carbamic acid, propyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate, Ethanol, 2,2'-(2-butoxy-3-methoxyphenethyl)iminodi-, bis(propylcarbamate), malonate hydrate, 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium; 3-hydroxy-3-oxopropanoate, CARBAMIC ACID, PROPYL-, DIESTER with (2-BUTOXY-3-METHOXYPHENETHYL)IMINODIETHANOL, 2-(2-Butoxy-3-methoxyphenyl)-N,N-bis{2-[(propylcarbamoyl)oxy]ethyl}ethan-1-aminium carboxyacetate
| Molecular Formula | C28H47N3O10 |
|---|---|
| Molecular Weight | 585.33 g/mol |
| LogP | 0.78 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 21 |
| Exact Mass | 585.3262 |
| Heavy Atoms | 41 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 72017-27-7 |
|---|---|
| SMILES | CCCCOC1=C(C=CC=C1OC)CC[NH+](CCOC(=O)NCCC)CCOC(=O)NCCC.C(C(=O)O)C(=O)[O-] |
| InChIKey | UEKQWLDUUOMZPZ-UHFFFAOYSA-N |
Product Overview
RefChem:332736 (CAS 72017-27-7), with molecular formula C28H47N3O10 and molecular weight 585.33 g/mol. IUPAC: 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium;3-hydroxy-3-oxopropanoate.
Chemical Property Profile of RefChem:332736
Property Insights of RefChem:332736
The XLogP value of 0.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332736. The TPSA of 177.0 Ų indicates high polarity, suggesting RefChem:332736 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:332736 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:332736?
The CAS number of RefChem:332736 is 72017-27-7.
What is the molecular formula of RefChem:332736?
The molecular formula of RefChem:332736 is C28H47N3O10.
What is the molecular weight of RefChem:332736?
The molecular weight of RefChem:332736 is 585.33 g/mol.
Where can I buy RefChem:332736?
You can request a quote for RefChem:332736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332736?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.