(Z)-4-indol-1-yl-4-oxobut-2-enoic acid
TL;DR: (Z)-4-indol-1-yl-4-oxobut-2-enoic acid (CAS 646509-15-1) is a chemical compound with molecular formula C12H9NO3 and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-indol-1-yl-4-oxobut-2-enoic acid
Also Known As: 4-indol-1-yl-4-oxobut-2-enoic acid, (Z)-4-indol-1-yl-4-oxobut-2-enoic acid
| Molecular Formula | C12H9NO3 |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 1.9223 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05824 |
| Heavy Atoms | 16 |
| Complexity | 580.7163 |
Chemical Identifiers
| CAS Number | 646509-15-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN2C(=O)/C=C\C(=O)O |
Product Overview
(Z)-4-indol-1-yl-4-oxobut-2-enoic acid (CAS 646509-15-1), with molecular formula C12H9NO3 and molecular weight 215.06 g/mol. IUPAC: (Z)-4-indol-1-yl-4-oxobut-2-enoic acid.
Chemical Property Profile of (Z)-4-indol-1-yl-4-oxobut-2-enoic acid
Property Insights of (Z)-4-indol-1-yl-4-oxobut-2-enoic acid
The XLogP value of 1.9223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-indol-1-yl-4-oxobut-2-enoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, (Z)-4-indol-1-yl-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-indol-1-yl-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 2 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 (Z)-4-indol-1-yl-4-oxobut-2-enoic acid?
The CAS number of (Z)-4-indol-1-yl-4-oxobut-2-enoic acid is 646509-15-1.
What is the molecular formula of (Z)-4-indol-1-yl-4-oxobut-2-enoic acid?
The molecular formula of (Z)-4-indol-1-yl-4-oxobut-2-enoic acid is C12H9NO3.
What is the molecular weight of (Z)-4-indol-1-yl-4-oxobut-2-enoic acid?
The molecular weight of (Z)-4-indol-1-yl-4-oxobut-2-enoic acid is 215.06 g/mol.
Where can I buy (Z)-4-indol-1-yl-4-oxobut-2-enoic acid?
You can request a quote for (Z)-4-indol-1-yl-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-indol-1-yl-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-indol-1-yl-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.