Isopropylurea
TL;DR: Isopropylurea (CAS 691-60-1) is a chemical compound with molecular formula C4H10N2O and molecular weight 102.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ylurea
Also Known As: ISOPROPYLUREA, 1-Isopropylurea, Isopropyl-urea, propan-2-ylurea, N-Isopropylurea
| Molecular Formula | C4H10N2O |
|---|---|
| Molecular Weight | 102.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.079315 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 691-60-1 |
|---|---|
| SMILES | CC(C)NC(=O)N |
| InChIKey | LZMATGARSSLFMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropylurea (CAS 691-60-1), with molecular formula C4H10N2O and molecular weight 102.08 g/mol. IUPAC: propan-2-ylurea.
Chemical Property Profile of Isopropylurea
Property Insights of Isopropylurea
The XLogP value of -0.2 indicates that Isopropylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.1 Ų, Isopropylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropylurea has 2 hydrogen bond donor(s) and 1 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 Isopropylurea?
The CAS number of Isopropylurea is 691-60-1.
What is the molecular formula of Isopropylurea?
The molecular formula of Isopropylurea is C4H10N2O.
What is the molecular weight of Isopropylurea?
The molecular weight of Isopropylurea is 102.08 g/mol.
Where can I buy Isopropylurea?
You can request a quote for Isopropylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylurea?
Yes, KEHONG BIO provides custom synthesis services for Isopropylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.