NCIOpen2_008203
TL;DR: NCIOpen2_008203 (CAS 14520-51-5) is a chemical compound with molecular formula C11H11IN2O5 and molecular weight 377.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[[2-[(2-iodoacetyl)amino]acetyl]amino]benzoic acid
Also Known As: NCIOpen2_008203, 2-hydroxy-4-{[n-(iodoacetyl)glycyl]amino}benzoic acid, 2-Hydroxy-4-({1-hydroxy-2-[(1-hydroxy-2-iodoethylidene)amino]ethylidene}amino)benzoic acid, 2-hydroxy-4-[[2-[(2-iodoacetyl)amino]acetyl]amino]benzoic acid
| Molecular Formula | C11H11IN2O5 |
|---|---|
| Molecular Weight | 377.97 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.97128 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 14520-51-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CNC(=O)CI)O)C(=O)O |
| InChIKey | NXWYHEQVRKTZRT-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008203 (CAS 14520-51-5), with molecular formula C11H11IN2O5 and molecular weight 377.97 g/mol. IUPAC: 2-hydroxy-4-[[2-[(2-iodoacetyl)amino]acetyl]amino]benzoic acid.
Chemical Property Profile of NCIOpen2_008203
Property Insights of NCIOpen2_008203
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008203. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_008203. Following Lipinski's Rule of Five, NCIOpen2_008203 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 NCIOpen2_008203?
The CAS number of NCIOpen2_008203 is 14520-51-5.
What is the molecular formula of NCIOpen2_008203?
The molecular formula of NCIOpen2_008203 is C11H11IN2O5.
What is the molecular weight of NCIOpen2_008203?
The molecular weight of NCIOpen2_008203 is 377.97 g/mol.
Where can I buy NCIOpen2_008203?
You can request a quote for NCIOpen2_008203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008203?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.