![[(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea structure](/static/products/6691/6691-84-5.webp)
[(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea
TL;DR: [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea (CAS 6691-84-5) is a chemical compound with molecular formula C13H21N3O and molecular weight 235.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1-methylidenespiro[5.5]undecan-5-ylidene)amino]urea
Also Known As: [(7-methylidenespiro[5.5]undecan-11-ylidene)amino]urea|[(E)-(1-methylidenespiro[5.5]undecan-5-ylidene)amino]urea
| Molecular Formula | C13H21N3O |
|---|---|
| Molecular Weight | 235.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.16846 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 6691-84-5 |
|---|---|
| SMILES | C=C1CCCC(=NNC(=O)N)C12CCCCC2 |
| InChIKey | JOZNYVDWYBRWDX-UHFFFAOYSA-N |
Product Overview
[(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea (CAS 6691-84-5), with molecular formula C13H21N3O and molecular weight 235.17 g/mol. IUPAC: [(1-methylidenespiro[5.5]undecan-5-ylidene)amino]urea.
Chemical Property Profile of [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea
Property Insights of [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea. Following Lipinski's Rule of Five, [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea has 2 hydrogen bond donor(s) and 2 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-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea?
The CAS number of [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea is 6691-84-5.
What is the molecular formula of [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea?
The molecular formula of [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea is C13H21N3O.
What is the molecular weight of [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea?
The molecular weight of [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea is 235.17 g/mol.
Where can I buy [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea?
You can request a quote for [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea?
Yes, KEHONG BIO provides custom synthesis services for [(1-Methylidenespiro[5.5]undecan-5-ylidene)amino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.