3-Diethylamino-2-propenal
TL;DR: 3-Diethylamino-2-propenal (CAS 13070-22-9) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)prop-2-enal
Also Known As: 3-Diethylaminoacrolein, 3-DIETHYLAMINO-2-PROPENAL, 3-(DIETHYLAMINO)PROP-2-ENAL, 3-(DiethylaMino)acrylaldehyde, 3-(N,N-diethylamino)acrolein
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 13070-22-9 |
|---|---|
| SMILES | CCN(CC)C=CC=O |
| InChIKey | CDNUNBYFDWXUDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Diethylamino-2-propenal (CAS 13070-22-9), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 3-(diethylamino)prop-2-enal.
Chemical Property Profile of 3-Diethylamino-2-propenal
Property Insights of 3-Diethylamino-2-propenal
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Diethylamino-2-propenal. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Diethylamino-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Diethylamino-2-propenal has 0 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 3-Diethylamino-2-propenal?
The CAS number of 3-Diethylamino-2-propenal is 13070-22-9.
What is the molecular formula of 3-Diethylamino-2-propenal?
The molecular formula of 3-Diethylamino-2-propenal is C7H13NO.
What is the molecular weight of 3-Diethylamino-2-propenal?
The molecular weight of 3-Diethylamino-2-propenal is 127.10 g/mol.
Where can I buy 3-Diethylamino-2-propenal?
You can request a quote for 3-Diethylamino-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Diethylamino-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Diethylamino-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.