Mdl 27013
TL;DR: Mdl 27013 (CAS 123285-45-0) is a chemical compound with molecular formula C22H33F3N4O7 and molecular weight 522.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C22H33F3N4O7 |
|---|---|
| Molecular Weight | 522.23 g/mol |
| LogP | 0.2122 |
| Topological Polar Surface Area | 150.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 522.23016 |
| Heavy Atoms | 36 |
| Complexity | 863.07 |
Chemical Identifiers
| CAS Number | 123285-45-0 |
|---|---|
| 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 |
Product Overview
Mdl 27013 (CAS 123285-45-0), with molecular formula C22H33F3N4O7 and molecular weight 522.23 g/mol. IUPAC: 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.
Chemical Property Profile of Mdl 27013
Property Insights of Mdl 27013
The XLogP value of 0.2122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 27013. The TPSA of 150.98 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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 522.23 g/mol.
Where can I buy Mdl 27013?
You can request a quote for Mdl 27013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 27013?
Yes, KEHONG BIO provides custom synthesis services for Mdl 27013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.