RefChem:321536
TL;DR: RefChem:321536 (CAS 98527-06-1) is a chemical compound with molecular formula C21H31BrN2O9 and molecular weight 534.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;2,3-dihydroxybutanedioic acid
Also Known As: C17H25BrN2O3.C4H6O6.1/2H2O, C17-H25-Br-N2-O3.C4-H6-O6.1/2H2-O, Benzamide, 3-bromo-5-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-hydroxy-2-methoxy-, tartrate, hydrate (2:2:1), 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide; 2,3-dihydroxybutanedioic acid, BENZAMIDE, 3-BROMO-5-ETHYL-N-((1-ETHYL-2-PYRROLIDINYL)METHYL)-6-HYDROXY-2-METHOX
| Molecular Formula | C21H31BrN2O9 |
|---|---|
| Molecular Weight | 534.12 g/mol |
| LogP | 0.82 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 534.1213 |
| Heavy Atoms | 33 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 98527-06-1 |
|---|---|
| SMILES | CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Br.C(C(C(=O)O)O)(C(=O)O)O |
| InChIKey | OOARQPDKIIDZEH-UHFFFAOYSA-N |
Product Overview
RefChem:321536 (CAS 98527-06-1), with molecular formula C21H31BrN2O9 and molecular weight 534.12 g/mol. IUPAC: 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;2,3-dihydroxybutanedioic acid.
Chemical Property Profile of RefChem:321536
Property Insights of RefChem:321536
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321536. The TPSA of 177.0 Ų indicates high polarity, suggesting RefChem:321536 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:321536 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:321536?
The CAS number of RefChem:321536 is 98527-06-1.
What is the molecular formula of RefChem:321536?
The molecular formula of RefChem:321536 is C21H31BrN2O9.
What is the molecular weight of RefChem:321536?
The molecular weight of RefChem:321536 is 534.12 g/mol.
Where can I buy RefChem:321536?
You can request a quote for RefChem:321536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321536?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.