![[3H]Mdl105519 structure](/static/images/no-structure.svg)
[3H]Mdl105519
TL;DR: [3H]Mdl105519 (CAS 161230-88-2) is a chemical compound with molecular formula C18H11Cl2NO4 and molecular weight 375.0065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid
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
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H11Cl2NO4 |
| Molecular Weight | 375.0065 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0065 Da |
| Heavy Atoms | 25 |
| Complexity | 561.0 |
| 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 |
Product Description
Applications: [3H]Mdl105519 is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
[3H]Mdl105519 is a pharmaceutical intermediate identified by CAS number 161230-88-2 and the molecular formula C18H11Cl2NO4 and a molecular weight of 375.01 g/mol. Synonyms include Mdl 105519 and [3H]MDL105519.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of [3H]Mdl105519
Property Insights of [3H]Mdl105519
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 [3H]Mdl105519. 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
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 375.0065 g/mol.
What are the applications of [3H]Mdl105519?
[3H]Mdl105519 is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy [3H]Mdl105519?
You can request a quote for [3H]Mdl105519 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [3H]Mdl105519?
Yes, CoreyChem provides custom synthesis services for [3H]Mdl105519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.