![5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- structure](/static/products/6927/692756-07-3.webp)
5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-
TL;DR: 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- (CAS 692756-07-3) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-benzylpyrrol-2-yl)-2,4-dioxohex-5-enoic acid
Also Known As: Hexanoic acid,2-ethyl-,2-octyldodecyl ester, 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-, 6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxohex-5-enoic acid, 6-(1-BENZYLPYRROL-2-YL)-2,4-DIOXOHEX-5-ENOIC ACID
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.1625 |
| Topological Polar Surface Area | 76.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 713.26996 |
Chemical Identifiers
| CAS Number | 692756-07-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=CC=C2C=CC(=O)CC(=O)C(=O)O |
Product Overview
5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- (CAS 692756-07-3), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: 6-(1-benzylpyrrol-2-yl)-2,4-dioxohex-5-enoic acid.
Chemical Property Profile of 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-
Property Insights of 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-
The XLogP value of 2.1625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-. The TPSA of 76.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-. Following Lipinski's Rule of Five, 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- 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 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-?
The CAS number of 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- is 692756-07-3.
What is the molecular formula of 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-?
The molecular formula of 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- is C17H15NO4.
What is the molecular weight of 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-?
The molecular weight of 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- is 297.10 g/mol.
Where can I buy 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-?
You can request a quote for 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexenoic acid, 2,4-dioxo-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.