RefChem:1100809
TL;DR: RefChem:1100809 (CAS 86398-83-6) is a chemical compound with molecular formula C27H36ClN3O6 and molecular weight 533.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-(3-chlorophenyl)-1-[2-(diethylamino)-3-propoxypropyl]-1-phenylurea
Also Known As: N'-(3-Chlorophenyl)-N-(2-(diethylamino)-3-propoxypropyl)-N-phenylurea (E)-2-butenedioate, Urea, N'-(3-chlorophenyl)-N-(2-(diethylamino)-3-propoxypropyl)-N-phenyl-, (E)-2-butenedioate, (E)-but-2-enedioic acid; 3-(3-chlorophenyl)-1-[2-(diethylamino)-3-propoxypropyl]-1-phenylurea, RefChem:1100809
| Molecular Formula | C27H36ClN3O6 |
|---|---|
| Molecular Weight | 533.23 g/mol |
| LogP | 5.2273 |
| Topological Polar Surface Area | 119.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 533.22925 |
| Heavy Atoms | 37 |
| Complexity | 982.6458 |
Chemical Identifiers
| CAS Number | 86398-83-6 |
|---|---|
| SMILES | CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl)N(CC)CC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100809 (CAS 86398-83-6), with molecular formula C27H36ClN3O6 and molecular weight 533.23 g/mol. IUPAC: (E)-but-2-enedioic acid;3-(3-chlorophenyl)-1-[2-(diethylamino)-3-propoxypropyl]-1-phenylurea.
Chemical Property Profile of RefChem:1100809
Property Insights of RefChem:1100809
The XLogP value of 5.2273 indicates that RefChem:1100809 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:1100809. Following Lipinski's Rule of Five, RefChem:1100809 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:1100809?
The CAS number of RefChem:1100809 is 86398-83-6.
What is the molecular formula of RefChem:1100809?
The molecular formula of RefChem:1100809 is C27H36ClN3O6.
What is the molecular weight of RefChem:1100809?
The molecular weight of RefChem:1100809 is 533.23 g/mol.
Where can I buy RefChem:1100809?
You can request a quote for RefChem:1100809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100809?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.