5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 70912-54-8) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, ISOPROPYLIDENE HEXAHYDROAZEPIN-2-YLIDENE MALONATE, BAS 01313071, 5-azepan-2-ylidene-2,2-dimethyl-1,3-dioxane-4,6-dione, AA-504/32133008
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 70912-54-8 |
|---|---|
| SMILES | CC1(OC(=O)C(=C2CCCCCN2)C(=O)O1)C |
| InChIKey | IBOQRIWQBFOIGL-UHFFFAOYSA-N |
Product Overview
5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 70912-54-8), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 5-(azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 1 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 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 70912-54-8.
What is the molecular formula of 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C12H17NO4.
What is the molecular weight of 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 239.12 g/mol.
Where can I buy 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.