1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea
TL;DR: 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea (CAS 41915-99-5) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-(pyridin-3-ylmethyl)urea
Also Known As: 1,1-dimethyl-3-(pyridin-3-ylmethyl)urea, N,N-Dimethyl-N'-[(pyridin-3-yl)methyl]urea, (dimethylamino)-N-(3-pyridylmethyl)carboxamide, N,N-DIMETHYL-N'-(3-PYRIDYLMETHYL)UREA, RefChem:213764
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 41915-99-5 |
|---|---|
| SMILES | CN(C)C(=O)NCC1=CN=CC=C1 |
| InChIKey | YNRVAYREOPJJOB-UHFFFAOYSA-N |
Product Overview
1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea (CAS 41915-99-5), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: 1,1-dimethyl-3-(pyridin-3-ylmethyl)urea.
Chemical Property Profile of 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea
Property Insights of 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea. With a topological polar surface area (TPSA) of 45.2 Ų, 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea 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-ylmethyl)urea?
The CAS number of 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea is 41915-99-5.
What is the molecular formula of 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea?
The molecular formula of 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea is C9H13N3O.
What is the molecular weight of 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea?
The molecular weight of 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea is 179.11 g/mol.
Where can I buy 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea?
You can request a quote for 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea 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-ylmethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-3-(pyridin-3-ylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.