2-Propenoic acid, 3-cyano-, methyl ester, (Z)-
TL;DR: 2-Propenoic acid, 3-cyano-, methyl ester, (Z)- (CAS 925-55-3) is a chemical compound with molecular formula C5H5NO2 and molecular weight 111.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-cyanoprop-2-enoate
Also Known As: Pentadecan-4-on, (Z)-Methyl 3-cyanoacrylate, methyl 3-cyanoprop-2-enoate, methyl (z)-3-cyanoacrylate, methyl (Z)-3-cyanoprop-2-enoate
| Molecular Formula | C5H5NO2 |
|---|---|
| Molecular Weight | 111.03 g/mol |
| LogP | 0.23918 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.03203 |
| Heavy Atoms | 8 |
| Complexity | 142.99788 |
Chemical Identifiers
| CAS Number | 925-55-3 |
|---|---|
| SMILES | COC(=O)/C=C\C#N |
Product Overview
2-Propenoic acid, 3-cyano-, methyl ester, (Z)- (CAS 925-55-3), with molecular formula C5H5NO2 and molecular weight 111.03 g/mol. IUPAC: methyl (Z)-3-cyanoprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-
Property Insights of 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-
The XLogP value of 0.23918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Propenoic acid, 3-cyano-, methyl ester, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-cyano-, methyl ester, (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-Propenoic acid, 3-cyano-, methyl ester, (Z)-?
The CAS number of 2-Propenoic acid, 3-cyano-, methyl ester, (Z)- is 925-55-3.
What is the molecular formula of 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-?
The molecular formula of 2-Propenoic acid, 3-cyano-, methyl ester, (Z)- is C5H5NO2.
What is the molecular weight of 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-?
The molecular weight of 2-Propenoic acid, 3-cyano-, methyl ester, (Z)- is 111.03 g/mol.
Where can I buy 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-?
You can request a quote for 2-Propenoic acid, 3-cyano-, methyl ester, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-cyano-, methyl ester, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.