Mdl 27013
TL;DR: Mdl 27013 (CAS 123285-45-0) is a chemical compound with molecular formula C22H33F3N4O7 and molecular weight 522.23016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoate
Also Known As: Mdl 27013, Mdl 27,013, methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoate, L-Prolinamide, N-(4-methoxy-1,4-dioxobutyl)-L-alanyl-L-alanyl-N-(3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-, (S)-, N-(4-Methoxy-4-oxobutanoyl)-L-alanyl-N-{(2S)-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carbonyl}-L-alaninamide
Technical Specifications
| Molecular Formula | C22H33F3N4O7 |
| Molecular Weight | 522.23016 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 522.23016 Da |
| Heavy Atoms | 36 |
| Complexity | 863.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](C(C)C)C(=O)C(F)(F)F)NC(=O)CCC(=O)OC |
| InChIKey | DLPRJHJSRIDQNC-WSMBLCCSSA-N |
Chemical Property Profile of Mdl 27013
Property Insights of Mdl 27013
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 27013. The TPSA of 151.0 Ų indicates high polarity, suggesting Mdl 27013 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mdl 27013 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Mdl 27013?
The CAS number of Mdl 27013 is 123285-45-0.
What is the molecular formula of Mdl 27013?
The molecular formula of Mdl 27013 is C22H33F3N4O7.
What is the molecular weight of Mdl 27013?
The molecular weight of Mdl 27013 is 522.23016 g/mol.
Where can I buy Mdl 27013?
You can request a quote for Mdl 27013 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mdl 27013?
Yes, CoreyChem provides custom synthesis services for Mdl 27013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.