RefChem:1100830
TL;DR: RefChem:1100830 (CAS 86398-67-6) is a chemical compound with molecular formula C28H37N3O6 and molecular weight 511.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1,3-diphenylurea
Also Known As: N-(3-(2-Methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-diphenylurea (E)-2-butenedioate, Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-diphenyl-, (E)-2-butenedioate, (E)-but-2-enedioic acid; 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1,3-diphenylurea, RefChem:1100830
| Molecular Formula | C28H37N3O6 |
|---|---|
| Molecular Weight | 511.27 g/mol |
| LogP | 4.5739 |
| Topological Polar Surface Area | 119.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 511.26825 |
| Heavy Atoms | 37 |
| Complexity | 975.49176 |
Chemical Identifiers
| CAS Number | 86398-67-6 |
|---|---|
| SMILES | CC(C)COCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2)N3CCCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100830 (CAS 86398-67-6), with molecular formula C28H37N3O6 and molecular weight 511.27 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1,3-diphenylurea.
Chemical Property Profile of RefChem:1100830
Property Insights of RefChem:1100830
The XLogP value of 4.5739 indicates that RefChem:1100830 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 RefChem:1100830. Following Lipinski's Rule of Five, RefChem:1100830 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1100830?
The CAS number of RefChem:1100830 is 86398-67-6.
What is the molecular formula of RefChem:1100830?
The molecular formula of RefChem:1100830 is C28H37N3O6.
What is the molecular weight of RefChem:1100830?
The molecular weight of RefChem:1100830 is 511.27 g/mol.
Where can I buy RefChem:1100830?
You can request a quote for RefChem:1100830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100830?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.