Mdl 29913
TL;DR: Mdl 29913 (CAS 135721-56-1) is a chemical compound with molecular formula C40H56N8O6 and molecular weight 744.4323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[(2-amino-4-methylpentyl)-methylamino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxo-1-(2-oxoethylideneamino)-3-phenylpropan-2-yl]amino]propan-2-yl]pentanediamide
Also Known As: Mdl 29913, Cyclo(gln-trp-phe-gly-leu-CH2NCH3-leu), MDL 29,913, (2S)-2-[[(2S)-2-[(2-amino-4-methylpentyl)-methylamino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxo-1-(2-oxoethylideneamino)-3-phenylpropan-2-yl]amino]propan-2-yl]pentanediamide, Glycine, N-(2-amino-4-methylpentyl)-N-methyl-L-leucyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-, cyclic (5-1)-peptide
Technical Specifications
| Molecular Formula | C40H56N8O6 |
| Molecular Weight | 744.4323 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 222.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 744.4323 Da |
| Heavy Atoms | 54 |
| Complexity | 1270.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N=CC=O)N(C)CC(CC(C)C)N |
| InChIKey | DBIVSFCCTOEQTP-CITGXELPSA-N |
Chemical Property Profile of Mdl 29913
Property Insights of Mdl 29913
The XLogP value of 3.7 indicates that Mdl 29913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 222.0 Ų indicates high polarity, suggesting Mdl 29913 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mdl 29913 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Mdl 29913?
The CAS number of Mdl 29913 is 135721-56-1.
What is the molecular formula of Mdl 29913?
The molecular formula of Mdl 29913 is C40H56N8O6.
What is the molecular weight of Mdl 29913?
The molecular weight of Mdl 29913 is 744.4323 g/mol.
Where can I buy Mdl 29913?
You can request a quote for Mdl 29913 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mdl 29913?
Yes, CoreyChem provides custom synthesis services for Mdl 29913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.