5-Amino-3-oxo-4-hexenoic acid methyl ester
TL;DR: 5-Amino-3-oxo-4-hexenoic acid methyl ester (CAS 52812-86-9) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-3-oxohex-4-enoate
Also Known As: 5-Amino-3-oxo-4-hexenoicacidmethylester, 5-Amino-3-oxo-4-hexenoic acid methyl ester
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 52812-86-9 |
|---|---|
| SMILES | CC(=CC(=O)CC(=O)OC)N |
| InChIKey | QDXNPYLWOVVHLU-UHFFFAOYSA-N |
Product Overview
5-Amino-3-oxo-4-hexenoic acid methyl ester (CAS 52812-86-9), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: methyl 5-amino-3-oxohex-4-enoate.
Chemical Property Profile of 5-Amino-3-oxo-4-hexenoic acid methyl ester
Property Insights of 5-Amino-3-oxo-4-hexenoic acid methyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-oxo-4-hexenoic acid methyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-3-oxo-4-hexenoic acid methyl ester. Following Lipinski's Rule of Five, 5-Amino-3-oxo-4-hexenoic acid methyl ester has 1 hydrogen bond donor(s) and 4 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 5-Amino-3-oxo-4-hexenoic acid methyl ester?
The CAS number of 5-Amino-3-oxo-4-hexenoic acid methyl ester is 52812-86-9.
What is the molecular formula of 5-Amino-3-oxo-4-hexenoic acid methyl ester?
The molecular formula of 5-Amino-3-oxo-4-hexenoic acid methyl ester is C7H11NO3.
What is the molecular weight of 5-Amino-3-oxo-4-hexenoic acid methyl ester?
The molecular weight of 5-Amino-3-oxo-4-hexenoic acid methyl ester is 157.07 g/mol.
Where can I buy 5-Amino-3-oxo-4-hexenoic acid methyl ester?
You can request a quote for 5-Amino-3-oxo-4-hexenoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3-oxo-4-hexenoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-oxo-4-hexenoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.