1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea (CAS 904474-41-5) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-pyridin-2-ylurea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-pyridin-2-ylurea, N-1,3-benzodioxol-5-yl-N'-2-pyridinylurea, 1-(1,3-benzodioxol-5-yl)-3-(2-pyridyl)urea, 1-benzo[1,3]dioxol-5-yl-3-pyridin-2-yl-urea, 1-(1,3-benzodioxol-5-yl)-3-(2-pyridinyl)urea
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 2.4543 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 601.33734 |
Chemical Identifiers
| CAS Number | 904474-41-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=CC=N3 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea (CAS 904474-41-5), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-pyridin-2-ylurea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea
The XLogP value of 2.4543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea has 2 hydrogen bond donor(s) and 4 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-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea is 904474-41-5.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea is C13H11N3O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea is 257.08 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.