![[[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate structure](/static/products/6810/68109-74-0.webp)
[[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate
TL;DR: [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate (CAS 68109-74-0) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate
Also Known As: Diacetone acrylamide oxime acetate, 2-Propenamide, N-[3-[(acetyloxy)imino]-1,1-dimethylbutyl]-, N-[3-[(Acetyloxy)imino]-1,1-dimethylbutyl]propenamide, O-acetyl-N-[3-(acryloylamino)-1,3-dimethylbutyl]hydroxylamine, 2-Propenamide, N-(3-((acetyloxy)imino)-1,1-dimethylbutyl)-
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 68109-74-0 |
|---|---|
| SMILES | CC(=NOC(=O)C)CC(C)(C)NC(=O)C=C |
| InChIKey | CMQFEJDEGKLHGN-UHFFFAOYSA-N |
Product Overview
[[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate (CAS 68109-74-0), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: [[4-methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate.
Chemical Property Profile of [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate
Property Insights of [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate. Following Lipinski's Rule of Five, [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate has 1 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 [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate?
The CAS number of [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate is 68109-74-0.
What is the molecular formula of [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate?
The molecular formula of [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate is C11H18N2O3.
What is the molecular weight of [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate?
The molecular weight of [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate is 226.13 g/mol.
Where can I buy [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate?
You can request a quote for [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate?
Yes, KEHONG BIO provides custom synthesis services for [[4-Methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.