黄铁矿
TL;DR: 黄铁矿 (CAS 1309-36-0) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黄铁矿
ethyl (E)-3-(ethylamino)but-2-enoate
Also Known As: ethyl 3-(ethylamino)but-2-enoate, 3-Ethylamino-but-2-enoic acid ethyl ester, ethyl (E)-3-(ethylamino)but-2-enoate, ETHYL 3-(ETHYLAMINO)CROTONATE, ethyl (2E)-3-(ethylamino)-2-butenoate
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 1.0628 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 152.17105 |
Chemical Identifiers
| CAS Number | 1309-36-0 |
|---|---|
| SMILES | CCN/C(=C/C(=O)OCC)/C |
Product Overview
黄铁矿 (CAS 1309-36-0), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: ethyl (E)-3-(ethylamino)but-2-enoate.
Chemical Property Profile of 黄铁矿
Property Insights of 黄铁矿
The XLogP value of 1.0628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 黄铁矿. With a topological polar surface area (TPSA) of 38.33 Ų, 黄铁矿 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 黄铁矿 has 1 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 黄铁矿?
The CAS number of 黄铁矿 is 1309-36-0.
What is the molecular formula of 黄铁矿?
The molecular formula of 黄铁矿 is C8H15NO2.
What is the molecular weight of 黄铁矿?
The molecular weight of 黄铁矿 is 157.11 g/mol.
Where can I buy 黄铁矿?
You can request a quote for 黄铁矿 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黄铁矿?
Yes, KEHONG BIO provides custom synthesis services for 黄铁矿 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.