1,1-Dimethyl-3-pyridin-3-ylurea
TL;DR: 1,1-Dimethyl-3-pyridin-3-ylurea (CAS 13607-03-9) is a chemical compound with molecular formula C8H11N3O and molecular weight 165.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-pyridin-3-ylurea
Also Known As: 1,1-dimethyl-3-pyridin-3-ylurea, Urea,n,n-dimethyl-n-3-pyridinyl-, N,N-Dimethyl-N'-(pyridin-3-yl)urea
| Molecular Formula | C8H11N3O |
|---|---|
| Molecular Weight | 165.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.09021 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 13607-03-9 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CN=CC=C1 |
| InChIKey | ZSJMEPHSFVNWOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethyl-3-pyridin-3-ylurea (CAS 13607-03-9), with molecular formula C8H11N3O and molecular weight 165.09 g/mol. IUPAC: 1,1-dimethyl-3-pyridin-3-ylurea.
Chemical Property Profile of 1,1-Dimethyl-3-pyridin-3-ylurea
Property Insights of 1,1-Dimethyl-3-pyridin-3-ylurea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-3-pyridin-3-ylurea. With a topological polar surface area (TPSA) of 45.2 Ų, 1,1-Dimethyl-3-pyridin-3-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-3-pyridin-3-ylurea 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 1,1-Dimethyl-3-pyridin-3-ylurea?
The CAS number of 1,1-Dimethyl-3-pyridin-3-ylurea is 13607-03-9.
What is the molecular formula of 1,1-Dimethyl-3-pyridin-3-ylurea?
The molecular formula of 1,1-Dimethyl-3-pyridin-3-ylurea is C8H11N3O.
What is the molecular weight of 1,1-Dimethyl-3-pyridin-3-ylurea?
The molecular weight of 1,1-Dimethyl-3-pyridin-3-ylurea is 165.09 g/mol.
Where can I buy 1,1-Dimethyl-3-pyridin-3-ylurea?
You can request a quote for 1,1-Dimethyl-3-pyridin-3-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-3-pyridin-3-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-3-pyridin-3-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.