![1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea structure](/static/products/113/113260-75-6.png)
1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea
TL;DR: 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea (CAS 113260-75-6) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(1,3-benzodioxol-5-ylmethyl)urea
Also Known As: 1,3-Dipiperonylurea, 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea, 1,3-bis(1,3-benzodioxol-5-ylmethyl)urea, 1,3-Bis(1,3-benzodioxole-5-ylmethyl)urea, J1.614.447I
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.1434 |
| Topological Polar Surface Area | 78.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 714.07135 |
Chemical Identifiers
| CAS Number | 113260-75-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea (CAS 113260-75-6), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: 1,3-bis(1,3-benzodioxol-5-ylmethyl)urea.
Chemical Property Profile of 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea
Property Insights of 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea
The XLogP value of 2.1434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea. The TPSA of 78.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea. Following Lipinski's Rule of Five, 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]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 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea?
The CAS number of 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea is 113260-75-6.
What is the molecular formula of 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea?
The molecular formula of 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea is C17H16N2O5.
What is the molecular weight of 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea?
The molecular weight of 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea is 328.11 g/mol.
Where can I buy 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea?
You can request a quote for 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.