Org 31433
TL;DR: Org 31433 (CAS 132031-83-5) is a chemical compound with molecular formula C50H75N9O10S and molecular weight 993.53577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid
Also Known As: Org 31433, Met-O2-glu-his-phe-D-lys-phe-O-(CH2)9-CH3, (2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid, L-Phenylalanine, 4-(methylsulfinyl)-L-2-aminobutanoyl-L-alpha-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-, 6-decyl ester
Technical Specifications
| Molecular Formula | C50H75N9O10S |
| Molecular Weight | 993.53577 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 322.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 35 |
| Exact Mass | 993.53577 Da |
| Heavy Atoms | 70 |
| Complexity | 1740.0 |
| SMILES | CCCCCC(CCCC)OC(=O)C(C[C@@H](C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC)N)S(=O)C |
| InChIKey | WRSKQNYFHKIVPM-LDOUIJQZSA-N |
Chemical Property Profile of Org 31433
Property Insights of Org 31433
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Org 31433. The TPSA of 322.0 Ų indicates high polarity, suggesting Org 31433 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Org 31433 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Org 31433?
The CAS number of Org 31433 is 132031-83-5.
What is the molecular formula of Org 31433?
The molecular formula of Org 31433 is C50H75N9O10S.
What is the molecular weight of Org 31433?
The molecular weight of Org 31433 is 993.53577 g/mol.
Where can I buy Org 31433?
You can request a quote for Org 31433 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Org 31433?
Yes, CoreyChem provides custom synthesis services for Org 31433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.