1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea
TL;DR: 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea (CAS 496017-73-3) is a chemical compound with molecular formula C19H23N3O4 and molecular weight 357.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea
Also Known As: 1-(1-adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea, N-1-adamantyl-2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinecarboxamide, N-(1-adamantyl)-2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinecarboxamide, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N-[(N-adamantanylcarbamoyl)amino]carboxamide
| Molecular Formula | C19H23N3O4 |
|---|---|
| Molecular Weight | 357.17 g/mol |
| LogP | 2.3281 |
| Topological Polar Surface Area | 88.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.16885 |
| Heavy Atoms | 26 |
| Complexity | 727.86694 |
Chemical Identifiers
| CAS Number | 496017-73-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)NNC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea (CAS 496017-73-3), with molecular formula C19H23N3O4 and molecular weight 357.17 g/mol. IUPAC: 1-(1-adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea.
Chemical Property Profile of 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea
Property Insights of 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea
The XLogP value of 2.3281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea. The TPSA of 88.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea has 3 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-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea?
The CAS number of 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea is 496017-73-3.
What is the molecular formula of 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea?
The molecular formula of 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea is C19H23N3O4.
What is the molecular weight of 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea?
The molecular weight of 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea is 357.17 g/mol.
Where can I buy 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea?
You can request a quote for 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)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-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-3-(1,3-benzodioxole-5-carbonylamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.