2-Propenoic acid, 2-cyano-, 1-methylpentyl ester
TL;DR: 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester (CAS 398147-86-9) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexan-2-yl 2-cyanoprop-2-enoate
Also Known As: 2-hexyl cyanoacrylate, 2-hexyl 2-cyanoacrylate, Hexan-2-yl 2-cyanoprop-2-enoate, 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester, RefChem:266282
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.18808 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 227.56947 |
Chemical Identifiers
| CAS Number | 398147-86-9 |
|---|---|
| SMILES | CCCCC(C)OC(=O)C(=C)C#N |
Product Overview
2-Propenoic acid, 2-cyano-, 1-methylpentyl ester (CAS 398147-86-9), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: hexan-2-yl 2-cyanoprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester
Property Insights of 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester
The XLogP value of 2.18808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester 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, 2-cyano-, 1-methylpentyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester is 398147-86-9.
What is the molecular formula of 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester is C10H15NO2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester is 181.11 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester 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, 2-cyano-, 1-methylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-, 1-methylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.