C20H17BrN2O5
TL;DR: C20H17BrN2O5 (CAS 289721-89-7) is a chemical compound with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[3-[(2-carboxybenzoyl)amino]propyl]-1H-indole-2-carboxylic acid
Also Known As: 5-bromo-3-[3-[(2-carboxybenzoyl)amino]propyl]-1H-indole-2-carboxylic Acid, 5-bromo-3-(3-(2-carboxybenzamido)propyl)-1H-indole-2-carboxylic acid, 5-bromo-3-(3-{[(2-carboxyphenyl)carbonyl]amino}propyl)-1H-indole-2-carboxylic acid, 5-bromo-3-{3-[(2-carboxyphenyl)carbonylamino]propyl}indole-2-carboxylic acid
| Molecular Formula | C20H17BrN2O5 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 3.6894 |
| Topological Polar Surface Area | 119.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.03207 |
| Heavy Atoms | 28 |
| Complexity | 1073.6433 |
Chemical Identifiers
| CAS Number | 289721-89-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCCCC2=C(NC3=C2C=C(C=C3)Br)C(=O)O)C(=O)O |
Product Overview
C20H17BrN2O5 (CAS 289721-89-7), with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol. IUPAC: 5-bromo-3-[3-[(2-carboxybenzoyl)amino]propyl]-1H-indole-2-carboxylic acid.
Chemical Property Profile of C20H17BrN2O5
Property Insights of C20H17BrN2O5
The XLogP value of 3.6894 indicates that C20H17BrN2O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.49 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H17BrN2O5. Following Lipinski's Rule of Five, C20H17BrN2O5 has 4 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 C20H17BrN2O5?
The CAS number of C20H17BrN2O5 is 289721-89-7.
What is the molecular formula of C20H17BrN2O5?
The molecular formula of C20H17BrN2O5 is C20H17BrN2O5.
What is the molecular weight of C20H17BrN2O5?
The molecular weight of C20H17BrN2O5 is 444.03 g/mol.
Where can I buy C20H17BrN2O5?
You can request a quote for C20H17BrN2O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H17BrN2O5?
Yes, KEHONG BIO provides custom synthesis services for C20H17BrN2O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.