2-Pentenenitrile, 4-(acetyloxy)-, (Z)-
TL;DR: 2-Pentenenitrile, 4-(acetyloxy)-, (Z)- (CAS 67024-69-5) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyanobut-3-en-2-yl acetate
Also Known As: 4-cyanobut-3-en-2-yl acetate, 2-Pentenenitrile, 4-(acetyloxy)-, (Z)-, [(Z)-4-cyanobut-3-en-2-yl] acetate
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 67024-69-5 |
|---|---|
| SMILES | CC(C=CC#N)OC(=O)C |
| InChIKey | ULTHKCZQZOGFLG-UHFFFAOYSA-N |
Product Overview
2-Pentenenitrile, 4-(acetyloxy)-, (Z)- (CAS 67024-69-5), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 4-cyanobut-3-en-2-yl acetate.
Chemical Property Profile of 2-Pentenenitrile, 4-(acetyloxy)-, (Z)-
Property Insights of 2-Pentenenitrile, 4-(acetyloxy)-, (Z)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentenenitrile, 4-(acetyloxy)-, (Z)-. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Pentenenitrile, 4-(acetyloxy)-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentenenitrile, 4-(acetyloxy)-, (Z)- has 0 hydrogen bond donor(s) and 3 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-Pentenenitrile, 4-(acetyloxy)-, (Z)-?
The CAS number of 2-Pentenenitrile, 4-(acetyloxy)-, (Z)- is 67024-69-5.
What is the molecular formula of 2-Pentenenitrile, 4-(acetyloxy)-, (Z)-?
The molecular formula of 2-Pentenenitrile, 4-(acetyloxy)-, (Z)- is C7H9NO2.
What is the molecular weight of 2-Pentenenitrile, 4-(acetyloxy)-, (Z)-?
The molecular weight of 2-Pentenenitrile, 4-(acetyloxy)-, (Z)- is 139.06 g/mol.
Where can I buy 2-Pentenenitrile, 4-(acetyloxy)-, (Z)-?
You can request a quote for 2-Pentenenitrile, 4-(acetyloxy)-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentenenitrile, 4-(acetyloxy)-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentenenitrile, 4-(acetyloxy)-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.