1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea (CAS 708213-86-9) is a chemical compound with molecular formula C16H15N3O6 and molecular weight 345.10 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-(2-methoxy-4-nitrophenyl)urea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea, N-(1,3-BENZODIOXOL-5-YLMETHYL)-N'-(2-METHOXY-4-NITROPHENYL)UREA, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)[(2-methoxy-4-nitrophenyl)amino]carb oxamide
| Molecular Formula | C16H15N3O6 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 2.6538 |
| Topological Polar Surface Area | 111.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.0961 |
| Heavy Atoms | 25 |
| Complexity | 823.5125 |
Chemical Identifiers
| CAS Number | 708213-86-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea (CAS 708213-86-9), with molecular formula C16H15N3O6 and molecular weight 345.10 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea
The XLogP value of 2.6538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea. The TPSA of 111.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea has 2 hydrogen bond donor(s) and 6 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-(2-methoxy-4-nitrophenyl)urea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea is 708213-86-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea is C16H15N3O6.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea is 345.10 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-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-(2-methoxy-4-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.