2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid
TL;DR: 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid (CAS 690632-76-9) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid
Also Known As: 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid, Maybridge2_000345, 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid, (1-methyl-1H-indazol-3-yl)methanol, 2-morpholino-5-pyrrol-1-yl-benzoic acid
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.0121 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 601.5861 |
Chemical Identifiers
| CAS Number | 690632-76-9 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)N3C=CC=C3)C(=O)O |
Product Overview
2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid (CAS 690632-76-9), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid.
Chemical Property Profile of 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid
Property Insights of 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid
The XLogP value of 2.0121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 54.7 Ų, 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid 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 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid?
The CAS number of 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid is 690632-76-9.
What is the molecular formula of 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid is C15H16N2O3.
What is the molecular weight of 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid is 272.12 g/mol.
Where can I buy 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.