3-(吡咯-1-基)戊二酸
TL;DR: 3-(吡咯-1-基)戊二酸 (CAS 23757-03-1) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(吡咯-1-基)戊二酸
3-pyrrol-1-ylpentanedioic acid
Also Known As: 3-pyrrol-1-ylpentanedioic acid, 3-(1H-pyrrol-1-yl)pentanedioic acid, NCIStruc1_000088, NCIStruc2_000218, 3-pyrrol-1-yl-pentanedioic acid
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 23757-03-1 |
|---|---|
| SMILES | C1=CN(C=C1)C(CC(=O)O)CC(=O)O |
| InChIKey | KHDDBIBKNPILFG-UHFFFAOYSA-N |
Product Overview
3-(吡咯-1-基)戊二酸 (CAS 23757-03-1), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: 3-pyrrol-1-ylpentanedioic acid.
Chemical Property Profile of 3-(吡咯-1-基)戊二酸
Property Insights of 3-(吡咯-1-基)戊二酸
The XLogP value of -0.4 indicates that 3-(吡咯-1-基)戊二酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(吡咯-1-基)戊二酸. Following Lipinski's Rule of Five, 3-(吡咯-1-基)戊二酸 has 2 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 3-(吡咯-1-基)戊二酸?
The CAS number of 3-(吡咯-1-基)戊二酸 is 23757-03-1.
What is the molecular formula of 3-(吡咯-1-基)戊二酸?
The molecular formula of 3-(吡咯-1-基)戊二酸 is C9H11NO4.
What is the molecular weight of 3-(吡咯-1-基)戊二酸?
The molecular weight of 3-(吡咯-1-基)戊二酸 is 197.07 g/mol.
Where can I buy 3-(吡咯-1-基)戊二酸?
You can request a quote for 3-(吡咯-1-基)戊二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(吡咯-1-基)戊二酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(吡咯-1-基)戊二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.