MDL 105519
TL;DR: MDL 105519 (CAS 161230-88-2) is a chemical compound with molecular formula C18H11Cl2NO4 and molecular weight 375.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
MDL 105519
3-(2-carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid
Also Known As: Mdl 105519, [3H]MDL105519, (3H)MDL105519, (Z)-MDL 105519, 3-(2-carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid
| Molecular Formula | C18H11Cl2NO4 |
|---|---|
| Molecular Weight | 375.01 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0065 |
| Heavy Atoms | 25 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 161230-88-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)C(=O)O |
| InChIKey | LPWVUDLZUVBQGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MDL 105519 (CAS 161230-88-2), with molecular formula C18H11Cl2NO4 and molecular weight 375.01 g/mol. IUPAC: 3-(2-carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid.
Chemical Property Profile of MDL 105519
Property Insights of MDL 105519
The XLogP value of 4.8 indicates that [3H]Mdl105519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for MDL 105519. Following Lipinski's Rule of Five, [3H]Mdl105519 has 3 hydrogen bond donor(s) and 4 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 [3H]Mdl105519?
The CAS number of [3H]Mdl105519 is 161230-88-2.
What is the molecular formula of [3H]Mdl105519?
The molecular formula of [3H]Mdl105519 is C18H11Cl2NO4.
What is the molecular weight of [3H]Mdl105519?
The molecular weight of [3H]Mdl105519 is 375.01 g/mol.
Where can I buy [3H]Mdl105519?
You can request a quote for [3H]Mdl105519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3H]Mdl105519?
Yes, KEHONG BIO provides custom synthesis services for [3H]Mdl105519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.