1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-
TL;DR: 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- (CAS 63751-10-0) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexanoic acid
Also Known As: 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexanoic acid, 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-, 6-(3,4-Dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid, Hexanoic acid, 6-(3,4-dimethyl-2,5-dioxo-3-pyrrolin-1-yl)-, 1H-Pyrrole-1-hexanoic acid,2,5-dihydro-3,4-dimethyl-2,5-dioxo
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 63751-10-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(C1=O)CCCCCC(=O)O)C |
| InChIKey | LQRDWDFBWXZAOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- (CAS 63751-10-0), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexanoic acid.
Chemical Property Profile of 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-
Property Insights of 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-. Following Lipinski's Rule of Five, 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- 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 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-?
The CAS number of 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- is 63751-10-0.
What is the molecular formula of 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-?
The molecular formula of 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- is C12H17NO4.
What is the molecular weight of 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-?
The molecular weight of 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- is 239.12 g/mol.
Where can I buy 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-?
You can request a quote for 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.