RefChem:1080879
TL;DR: RefChem:1080879 (CAS 27585-47-3) is a chemical compound with molecular formula C31H51N3O10 and molecular weight 625.36 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-(butylcarbamoyloxy)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Carbamic acid, butyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate, Ethanol, 2,2'-(2-butoxy-3-methoxyphenethyl)iminodi-, bis(butylcarbamate), malonate, hydrate, 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(butylcarbamoyloxy)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1080879
| Molecular Formula | C31H51N3O10 |
|---|---|
| Molecular Weight | 625.36 g/mol |
| LogP | 1.7312 |
| Topological Polar Surface Area | 176.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 625.3574 |
| Heavy Atoms | 44 |
| Complexity | 943.4458 |
Chemical Identifiers
| CAS Number | 27585-47-3 |
|---|---|
| SMILES | CCCCNC(=O)OCC[NH+](CCC1=C(C(=CC=C1)OC)OCCCC)CCOC(=O)NCCCC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1080879 (CAS 27585-47-3), with molecular formula C31H51N3O10 and molecular weight 625.36 g/mol. IUPAC: 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(butylcarbamoyloxy)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1080879
Property Insights of RefChem:1080879
The XLogP value of 1.7312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1080879. The TPSA of 176.99 Ų indicates high polarity, suggesting RefChem:1080879 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1080879 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1080879?
The CAS number of RefChem:1080879 is 27585-47-3.
What is the molecular formula of RefChem:1080879?
The molecular formula of RefChem:1080879 is C31H51N3O10.
What is the molecular weight of RefChem:1080879?
The molecular weight of RefChem:1080879 is 625.36 g/mol.
Where can I buy RefChem:1080879?
You can request a quote for RefChem:1080879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080879?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.