N-1,3-benzodioxol-5-ylurea
TL;DR: N-1,3-benzodioxol-5-ylurea (CAS 119179-46-3) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylurea
Also Known As: N-1,3-benzodioxol-5-ylurea, (1,3-Dioxaindan-5-yl)urea, 1,3-benzodioxol-5-ylurea, (2H-1,3-benzodioxol-5-yl)urea, N-(1,3-benzodioxol-5-yl)urea
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.9059 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 351.24243 |
Chemical Identifiers
| CAS Number | 119179-46-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)N |
Product Overview
N-1,3-benzodioxol-5-ylurea (CAS 119179-46-3), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 1,3-benzodioxol-5-ylurea.
Chemical Property Profile of N-1,3-benzodioxol-5-ylurea
Property Insights of N-1,3-benzodioxol-5-ylurea
The XLogP value of 0.9059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,3-benzodioxol-5-ylurea. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,3-benzodioxol-5-ylurea. Following Lipinski's Rule of Five, N-1,3-benzodioxol-5-ylurea has 2 hydrogen bond donor(s) and 3 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 N-1,3-benzodioxol-5-ylurea?
The CAS number of N-1,3-benzodioxol-5-ylurea is 119179-46-3.
What is the molecular formula of N-1,3-benzodioxol-5-ylurea?
The molecular formula of N-1,3-benzodioxol-5-ylurea is C8H8N2O3.
What is the molecular weight of N-1,3-benzodioxol-5-ylurea?
The molecular weight of N-1,3-benzodioxol-5-ylurea is 180.05 g/mol.
Where can I buy N-1,3-benzodioxol-5-ylurea?
You can request a quote for N-1,3-benzodioxol-5-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1,3-benzodioxol-5-ylurea?
Yes, KEHONG BIO provides custom synthesis services for N-1,3-benzodioxol-5-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.