3,3'-Hexamethylenebis(1,1-dibenzylurea)
TL;DR: 3,3'-Hexamethylenebis(1,1-dibenzylurea) (CAS 42101-55-3) is a chemical compound with molecular formula C36H42N4O2 and molecular weight 562.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibenzyl-3-[6-(dibenzylcarbamoylamino)hexyl]urea
Also Known As: 3,3'-HEXAMETHYLENEBIS(1,1-DIBENZYLUREA), 1,1-dibenzyl-3-[6-(dibenzylcarbamoylamino)hexyl]urea, N',N''-Hexane-1,6-diylbis(N,N-dibenzylurea), 3,3-DIBENZYL-1-{6-[(DIBENZYLCARBAMOYL)AMINO]HEXYL}UREA, [bisbenzylamino]-N-(6-{[bisbenzylamino]carbonylamino}hexyl)carboxamide
| Molecular Formula | C36H42N4O2 |
|---|---|
| Molecular Weight | 562.33 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 562.33075 |
| Heavy Atoms | 42 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 42101-55-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NCCCCCCNC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | BCIPPOQLFGYUQQ-UHFFFAOYSA-N |
Product Overview
3,3'-Hexamethylenebis(1,1-dibenzylurea) (CAS 42101-55-3), with molecular formula C36H42N4O2 and molecular weight 562.33 g/mol. IUPAC: 1,1-dibenzyl-3-[6-(dibenzylcarbamoylamino)hexyl]urea.
Chemical Property Profile of 3,3'-Hexamethylenebis(1,1-dibenzylurea)
Property Insights of 3,3'-Hexamethylenebis(1,1-dibenzylurea)
The XLogP value of 6.3 indicates that 3,3'-Hexamethylenebis(1,1-dibenzylurea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Hexamethylenebis(1,1-dibenzylurea). Following Lipinski's Rule of Five, 3,3'-Hexamethylenebis(1,1-dibenzylurea) has 2 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 3,3'-Hexamethylenebis(1,1-dibenzylurea)?
The CAS number of 3,3'-Hexamethylenebis(1,1-dibenzylurea) is 42101-55-3.
What is the molecular formula of 3,3'-Hexamethylenebis(1,1-dibenzylurea)?
The molecular formula of 3,3'-Hexamethylenebis(1,1-dibenzylurea) is C36H42N4O2.
What is the molecular weight of 3,3'-Hexamethylenebis(1,1-dibenzylurea)?
The molecular weight of 3,3'-Hexamethylenebis(1,1-dibenzylurea) is 562.33 g/mol.
Where can I buy 3,3'-Hexamethylenebis(1,1-dibenzylurea)?
You can request a quote for 3,3'-Hexamethylenebis(1,1-dibenzylurea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Hexamethylenebis(1,1-dibenzylurea)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Hexamethylenebis(1,1-dibenzylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.