Mdl 201,404YA
TL;DR: Mdl 201,404YA (CAS 150493-09-7) is a chemical compound with molecular formula C36H42O12S2 and molecular weight 730.2118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[2-[4-[1-[4-(2-carboxy-2-methylpropyl)sulfonylphenoxy]-2-methyl-1-oxopropan-2-yl]phenyl]-2-methylpropanoyl]oxyphenyl]sulfonyl-2,2-dimethylpropanoic acid
Also Known As: Mdl 201,404YA, CE-1037 Free acid, Mdl 201404YA, CE 1037, MDL-201404AY
Technical Specifications
| Molecular Formula | C36H42O12S2 |
| Molecular Weight | 730.2118 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 730.2118 Da |
| Heavy Atoms | 50 |
| Complexity | 1340.0 |
| SMILES | CC(C)(CS(=O)(=O)C1=CC=C(C=C1)OC(=O)C(C)(C)C2=CC=C(C=C2)C(C)(C)C(=O)OC3=CC=C(C=C3)S(=O)(=O)CC(C)(C)C(=O)O)C(=O)O |
| InChIKey | HVXFLNJFYRWDQU-UHFFFAOYSA-N |
Chemical Property Profile of Mdl 201,404YA
Property Insights of Mdl 201,404YA
The XLogP value of 5.8 indicates that Mdl 201,404YA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.0 Ų indicates high polarity, suggesting Mdl 201,404YA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mdl 201,404YA has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Mdl 201,404YA?
The CAS number of Mdl 201,404YA is 150493-09-7.
What is the molecular formula of Mdl 201,404YA?
The molecular formula of Mdl 201,404YA is C36H42O12S2.
What is the molecular weight of Mdl 201,404YA?
The molecular weight of Mdl 201,404YA is 730.2118 g/mol.
Where can I buy Mdl 201,404YA?
You can request a quote for Mdl 201,404YA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mdl 201,404YA?
Yes, CoreyChem provides custom synthesis services for Mdl 201,404YA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.