2-Propoxyethyl 2-cyanoprop-2-enoate
TL;DR: 2-Propoxyethyl 2-cyanoprop-2-enoate (CAS 72448-74-9) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propoxyethyl 2-cyanoprop-2-enoate
Also Known As: 2-propoxyethyl 2-cyanoprop-2-enoate, 2-Propenoic acid, 2-cyano-, 2-propoxyethyl ester
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 1.03598 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 217.38992 |
Chemical Identifiers
| CAS Number | 72448-74-9 |
|---|---|
| SMILES | CCCOCCOC(=O)C(=C)C#N |
Product Overview
2-Propoxyethyl 2-cyanoprop-2-enoate (CAS 72448-74-9), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: 2-propoxyethyl 2-cyanoprop-2-enoate.
Chemical Property Profile of 2-Propoxyethyl 2-cyanoprop-2-enoate
Property Insights of 2-Propoxyethyl 2-cyanoprop-2-enoate
The XLogP value of 1.03598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propoxyethyl 2-cyanoprop-2-enoate. With a topological polar surface area (TPSA) of 59.32 Ų, 2-Propoxyethyl 2-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propoxyethyl 2-cyanoprop-2-enoate has 0 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 2-Propoxyethyl 2-cyanoprop-2-enoate?
The CAS number of 2-Propoxyethyl 2-cyanoprop-2-enoate is 72448-74-9.
What is the molecular formula of 2-Propoxyethyl 2-cyanoprop-2-enoate?
The molecular formula of 2-Propoxyethyl 2-cyanoprop-2-enoate is C9H13NO3.
What is the molecular weight of 2-Propoxyethyl 2-cyanoprop-2-enoate?
The molecular weight of 2-Propoxyethyl 2-cyanoprop-2-enoate is 183.09 g/mol.
Where can I buy 2-Propoxyethyl 2-cyanoprop-2-enoate?
You can request a quote for 2-Propoxyethyl 2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propoxyethyl 2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propoxyethyl 2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.