RefChem:326584
TL;DR: RefChem:326584 (CAS 93799-12-3) is a chemical compound with molecular formula C20H27N3O4 and molecular weight 373.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]propylcarbamoyl]benzoic acid
Also Known As: Benzoic acid, 2-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-, N-(2,2,5,5-Tetramethyl-3-pyrroline-3-carbonyl)-N'-(2-carboxybenzoyl)-1,3-diaminopropane, 2-[3-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]propylcarbamoyl]benzoic acid, 2-{[3-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamido)propyl]carbamoyl}benzoic acid, BRN 5998093
| Molecular Formula | C20H27N3O4 |
|---|---|
| Molecular Weight | 373.20 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.20016 |
| Heavy Atoms | 27 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 93799-12-3 |
|---|---|
| SMILES | CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C2=CC=CC=C2C(=O)O)C |
| InChIKey | XBNDGZJADCLPGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:326584 (CAS 93799-12-3), with molecular formula C20H27N3O4 and molecular weight 373.20 g/mol. IUPAC: 2-[3-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]propylcarbamoyl]benzoic acid.
Chemical Property Profile of RefChem:326584
Property Insights of RefChem:326584
The XLogP value of -1.2 indicates that RefChem:326584 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326584. Following Lipinski's Rule of Five, RefChem:326584 has 4 hydrogen bond donor(s) and 5 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 RefChem:326584?
The CAS number of RefChem:326584 is 93799-12-3.
What is the molecular formula of RefChem:326584?
The molecular formula of RefChem:326584 is C20H27N3O4.
What is the molecular weight of RefChem:326584?
The molecular weight of RefChem:326584 is 373.20 g/mol.
Where can I buy RefChem:326584?
You can request a quote for RefChem:326584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326584?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.