Cambridge id 5472414
TL;DR: Cambridge id 5472414 (CAS 5542-53-0) is a chemical compound with molecular formula C17H26N2O8 and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethyl]pyrrole-2-carbaldehyde;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-hydroxypropane-1,2,3-tricarboxylic acid, 1H-Pyrrole-2-carboxaldehyde, 1-[2-(diethylamino)ethyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), IUPAC: 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-hydroxypropane-1,2,3-tricarboxylic Acid, Cambridge id 5472414
| Molecular Formula | C17H26N2O8 |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 0.3939 |
| Topological Polar Surface Area | 157.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 386.1689 |
| Heavy Atoms | 27 |
| Complexity | 620.6329 |
Chemical Identifiers
| CAS Number | 5542-53-0 |
|---|---|
| SMILES | CCN(CC)CCN1C=CC=C1C=O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Cambridge id 5472414 (CAS 5542-53-0), with molecular formula C17H26N2O8 and molecular weight 386.17 g/mol. IUPAC: 1-[2-(diethylamino)ethyl]pyrrole-2-carbaldehyde;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Cambridge id 5472414
Property Insights of Cambridge id 5472414
The XLogP value of 0.3939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cambridge id 5472414. The TPSA of 157.37 Ų indicates high polarity, suggesting Cambridge id 5472414 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cambridge id 5472414 has 4 hydrogen bond donor(s) and 6 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 Cambridge id 5472414?
The CAS number of Cambridge id 5472414 is 5542-53-0.
What is the molecular formula of Cambridge id 5472414?
The molecular formula of Cambridge id 5472414 is C17H26N2O8.
What is the molecular weight of Cambridge id 5472414?
The molecular weight of Cambridge id 5472414 is 386.17 g/mol.
Where can I buy Cambridge id 5472414?
You can request a quote for Cambridge id 5472414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5472414?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5472414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.