4,4'-Methylenebis(1-butyl-3-phenylurea)
TL;DR: 4,4'-Methylenebis(1-butyl-3-phenylurea) (CAS 77703-56-1) is a chemical compound with molecular formula C23H32N4O2 and molecular weight 396.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[4-[[4-(butylcarbamoylamino)phenyl]methyl]phenyl]urea
Also Known As: 4,4'-METHYLENEBIS(1-BUTYL-3-PHENYLUREA), 1-butyl-3-[4-[[4-(butylcarbamoylamino)phenyl]methyl]phenyl]urea, 1,1'-(Methylenebis(4,1-phenylene))bis(3-butylurea), EC 416-600-4, Methylene-bis-4,1-(N-phenylene-N'-butylurea)
| Molecular Formula | C23H32N4O2 |
|---|---|
| Molecular Weight | 396.25 g/mol |
| LogP | 5.1206 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 396.25253 |
| Heavy Atoms | 29 |
| Complexity | 691.9522 |
Chemical Identifiers
| CAS Number | 77703-56-1 |
|---|---|
| SMILES | CCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCC |
Product Overview
4,4'-Methylenebis(1-butyl-3-phenylurea) (CAS 77703-56-1), with molecular formula C23H32N4O2 and molecular weight 396.25 g/mol. IUPAC: 1-butyl-3-[4-[[4-(butylcarbamoylamino)phenyl]methyl]phenyl]urea.
Chemical Property Profile of 4,4'-Methylenebis(1-butyl-3-phenylurea)
Property Insights of 4,4'-Methylenebis(1-butyl-3-phenylurea)
The XLogP value of 5.1206 indicates that 4,4'-Methylenebis(1-butyl-3-phenylurea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Methylenebis(1-butyl-3-phenylurea). Following Lipinski's Rule of Five, 4,4'-Methylenebis(1-butyl-3-phenylurea) has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Methylenebis(1-butyl-3-phenylurea)?
The CAS number of 4,4'-Methylenebis(1-butyl-3-phenylurea) is 77703-56-1.
What is the molecular formula of 4,4'-Methylenebis(1-butyl-3-phenylurea)?
The molecular formula of 4,4'-Methylenebis(1-butyl-3-phenylurea) is C23H32N4O2.
What is the molecular weight of 4,4'-Methylenebis(1-butyl-3-phenylurea)?
The molecular weight of 4,4'-Methylenebis(1-butyl-3-phenylurea) is 396.25 g/mol.
Where can I buy 4,4'-Methylenebis(1-butyl-3-phenylurea)?
You can request a quote for 4,4'-Methylenebis(1-butyl-3-phenylurea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methylenebis(1-butyl-3-phenylurea)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methylenebis(1-butyl-3-phenylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.