1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea (CAS 380320-41-2) is a chemical compound with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N'-(4-nitrophenyl)urea
| Molecular Formula | C15H13N3O5 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 2.6452 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0855 |
| Heavy Atoms | 23 |
| Complexity | 745.2776 |
Chemical Identifiers
| CAS Number | 380320-41-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea (CAS 380320-41-2), with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea
The XLogP value of 2.6452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea has 2 hydrogen bond donor(s) and 5 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-ylmethyl)-3-(4-nitrophenyl)urea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea is 380320-41-2.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea is C15H13N3O5.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea is 315.09 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.