1,3-Bis(2-cyanopropan-2-yl)urea
TL;DR: 1,3-Bis(2-cyanopropan-2-yl)urea (CAS 86199-46-4) is a chemical compound with molecular formula C9H14N4O and molecular weight 194.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-cyanopropan-2-yl)urea
Also Known As: 1,3-bis(2-cyanopropan-2-yl)urea, N,N'-Bis(2-cyanopropan-2-yl)urea, 1,3-bis(1-cyano-1-methyl-ethyl)-urea
| Molecular Formula | C9H14N4O |
|---|---|
| Molecular Weight | 194.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.11676 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 86199-46-4 |
|---|---|
| SMILES | CC(C)(C#N)NC(=O)NC(C)(C)C#N |
| InChIKey | FBSBUUWBMOBMSL-UHFFFAOYSA-N |
Product Overview
1,3-Bis(2-cyanopropan-2-yl)urea (CAS 86199-46-4), with molecular formula C9H14N4O and molecular weight 194.12 g/mol. IUPAC: 1,3-bis(2-cyanopropan-2-yl)urea.
Chemical Property Profile of 1,3-Bis(2-cyanopropan-2-yl)urea
Property Insights of 1,3-Bis(2-cyanopropan-2-yl)urea
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(2-cyanopropan-2-yl)urea. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(2-cyanopropan-2-yl)urea. Following Lipinski's Rule of Five, 1,3-Bis(2-cyanopropan-2-yl)urea has 2 hydrogen bond donor(s) and 3 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 1,3-Bis(2-cyanopropan-2-yl)urea?
The CAS number of 1,3-Bis(2-cyanopropan-2-yl)urea is 86199-46-4.
What is the molecular formula of 1,3-Bis(2-cyanopropan-2-yl)urea?
The molecular formula of 1,3-Bis(2-cyanopropan-2-yl)urea is C9H14N4O.
What is the molecular weight of 1,3-Bis(2-cyanopropan-2-yl)urea?
The molecular weight of 1,3-Bis(2-cyanopropan-2-yl)urea is 194.12 g/mol.
Where can I buy 1,3-Bis(2-cyanopropan-2-yl)urea?
You can request a quote for 1,3-Bis(2-cyanopropan-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(2-cyanopropan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2-cyanopropan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.