Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate
TL;DR: Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate (CAS 86398-73-4) is a chemical compound with molecular formula C27H37N3O6 and molecular weight 499.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[2-(diethylamino)-3-propoxypropyl]-1,3-diphenylurea
Also Known As: N-(2-(Diethylamino)-3-propoxypropyl)-N,N'-diphenylurea (E)-2-butenedioate, Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate, (E)-but-2-enedioic acid; 1-[2-(diethylamino)-3-propoxypropyl]-1,3-diphenylurea, RefChem:1100820
| Molecular Formula | C27H37N3O6 |
|---|---|
| Molecular Weight | 499.27 g/mol |
| LogP | 4.5739 |
| Topological Polar Surface Area | 119.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 499.26825 |
| Heavy Atoms | 36 |
| Complexity | 917.03986 |
Chemical Identifiers
| CAS Number | 86398-73-4 |
|---|---|
| SMILES | CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2)N(CC)CC.C(=C/C(=O)O)\C(=O)O |
Product Overview
Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate (CAS 86398-73-4), with molecular formula C27H37N3O6 and molecular weight 499.27 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-(diethylamino)-3-propoxypropyl]-1,3-diphenylurea.
Chemical Property Profile of Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate
Property Insights of Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate
The XLogP value of 4.5739 indicates that Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate. Following Lipinski's Rule of Five, Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate?
The CAS number of Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate is 86398-73-4.
What is the molecular formula of Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate?
The molecular formula of Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate is C27H37N3O6.
What is the molecular weight of Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate?
The molecular weight of Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate is 499.27 g/mol.
Where can I buy Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate?
You can request a quote for Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2-(diethylamino)-3-propoxypropyl)-N,N'-diphenyl-, (E)-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.