Mdl 100748
TL;DR: Mdl 100748 (CAS 141222-98-2) is a chemical compound with molecular formula C12H8Cl2N2O4 and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(carboxymethylamino)-5,7-dichloroquinoline-2-carboxylic acid
Also Known As: CMADQ, Mdl 100748, MDL 100,748, Propanoic acid,2-cyano-2-fluoro-,ethyl ester, 4-((Carboxymethyl)amino)-5,7-dichloroquinoline-2-carboxylic acid
| Molecular Formula | C12H8Cl2N2O4 |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.9861 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 141222-98-2 |
|---|---|
| SMILES | C1=C(C=C(C2=C1N=C(C=C2NCC(=O)O)C(=O)O)Cl)Cl |
| InChIKey | UJAOIPMPKPYADL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 100748 (CAS 141222-98-2), with molecular formula C12H8Cl2N2O4 and molecular weight 313.99 g/mol. IUPAC: 4-(carboxymethylamino)-5,7-dichloroquinoline-2-carboxylic acid.
Chemical Property Profile of Mdl 100748
Property Insights of Mdl 100748
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 100748. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 100748. Following Lipinski's Rule of Five, Mdl 100748 has 3 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 Mdl 100748?
The CAS number of Mdl 100748 is 141222-98-2.
What is the molecular formula of Mdl 100748?
The molecular formula of Mdl 100748 is C12H8Cl2N2O4.
What is the molecular weight of Mdl 100748?
The molecular weight of Mdl 100748 is 313.99 g/mol.
Where can I buy Mdl 100748?
You can request a quote for Mdl 100748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 100748?
Yes, KEHONG BIO provides custom synthesis services for Mdl 100748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.