3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
TL;DR: 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) (CAS 17526-94-2) is a chemical compound with molecular formula C13H20N4O2 and molecular weight 264.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea
Also Known As: 1,1'-(4-Methyl-1,3-phenylene)bis(3,3-dimethylurea), Glycidyl hexanoate, 2,4-bis(3,3-dimethylureido)toluene, 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea), Tox21_302673
| Molecular Formula | C13H20N4O2 |
|---|---|
| Molecular Weight | 264.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.15863 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 17526-94-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)N(C)C)NC(=O)N(C)C |
| InChIKey | KDQTUCKOAOGTLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) (CAS 17526-94-2), with molecular formula C13H20N4O2 and molecular weight 264.16 g/mol. IUPAC: 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea.
Chemical Property Profile of 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
Property Insights of 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea). The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea). Following Lipinski's Rule of Five, 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) has 2 hydrogen bond donor(s) and 2 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 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)?
The CAS number of 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) is 17526-94-2.
What is the molecular formula of 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)?
The molecular formula of 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) is C13H20N4O2.
What is the molecular weight of 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)?
The molecular weight of 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) is 264.16 g/mol.
Where can I buy 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)?
You can request a quote for 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.