O-methyl-N,N'-diisopropylisourea
TL;DR: O-methyl-N,N'-diisopropylisourea (CAS 54789-87-6) is a chemical compound with molecular formula C8H18N2O and molecular weight 158.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N'-di(propan-2-yl)carbamimidate
Also Known As: o-Methyl-N,N'-diisopropylisourea, N,N'-Diisopropyl-O-methylisourea, methyl n,n'-diisopropylcarbamimidate, methyl N,N'-di(propan-2-yl)carbamimidate, EINECS 259-275-2
| Molecular Formula | C8H18N2O |
|---|---|
| Molecular Weight | 158.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.1419 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 54789-87-6 |
|---|---|
| SMILES | CC(C)NC(=NC(C)C)OC |
| InChIKey | PUVRRPLSJKDMKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-methyl-N,N'-diisopropylisourea (CAS 54789-87-6), with molecular formula C8H18N2O and molecular weight 158.14 g/mol. IUPAC: methyl N,N'-di(propan-2-yl)carbamimidate.
Chemical Property Profile of O-methyl-N,N'-diisopropylisourea
Property Insights of O-methyl-N,N'-diisopropylisourea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-methyl-N,N'-diisopropylisourea. With a topological polar surface area (TPSA) of 33.6 Ų, O-methyl-N,N'-diisopropylisourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl-N,N'-diisopropylisourea has 1 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 O-methyl-N,N'-diisopropylisourea?
The CAS number of O-methyl-N,N'-diisopropylisourea is 54789-87-6.
What is the molecular formula of O-methyl-N,N'-diisopropylisourea?
The molecular formula of O-methyl-N,N'-diisopropylisourea is C8H18N2O.
What is the molecular weight of O-methyl-N,N'-diisopropylisourea?
The molecular weight of O-methyl-N,N'-diisopropylisourea is 158.14 g/mol.
Where can I buy O-methyl-N,N'-diisopropylisourea?
You can request a quote for O-methyl-N,N'-diisopropylisourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl-N,N'-diisopropylisourea?
Yes, KEHONG BIO provides custom synthesis services for O-methyl-N,N'-diisopropylisourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.