Discobahamin B
TL;DR: Discobahamin B (CAS 155547-94-7) is a chemical compound with molecular formula C48H67N9O11 and molecular weight 945.49603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-N-[1-[4-[(E)-3-[[(2S)-1-[[(4S)-4-amino-5-[(2S)-2-[(2S)-2-amino-4-methylpentanoyl]-2-formyl-3-(2-hydroxy-3-methylpentanoyl)-3H-pyrrol-1-yl]-5-oxopentyl]amino]-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxoprop-1-enyl]-1,3-oxazol-2-yl]ethyl]-5-methyl-2-oxohexanamide
Also Known As: Discobahamin B, 3-amino-N-[1-[4-[(E)-3-[[(2S)-1-[[(4S)-4-amino-5-[(2S)-2-[(2S)-2-amino-4-methylpentanoyl]-2-formyl-3-(2-hydroxy-3-methylpentanoyl)-3H-pyrrol-1-yl]-5-oxopentyl]amino]-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxoprop-1-enyl]-1,3-oxazol-2-yl]ethyl]-5-methyl-2-oxohexanamide, L-Proline, N-(2-hydroxy-3-methyl-1-oxopentyl)-L-leucyl-N5-(N-(3-(2-(1-((3-amino-5-methyl-1,2-dioxohexyl)amino)ethyl)-4-oxazolyl)-1-oxo-2-propenyl)-5-hydroxy-L-tryptophyl)-L-ornithyl-, cyclic (3-2)-peptide
Technical Specifications
| Molecular Formula | C48H67N9O11 |
| Molecular Weight | 945.49603 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 336.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 26 |
| Exact Mass | 945.49603 Da |
| Heavy Atoms | 68 |
| Complexity | 1860.0 |
| SMILES | CCC(C)C(C(=O)C1C=CN([C@@]1(C=O)C(=O)[C@H](CC(C)C)N)C(=O)[C@H](CCCNC(=O)[C@H](CC2=CNC3=C2C=C(C=C3)O)NC(=O)/C=C/C4=COC(=N4)C(C)NC(=O)C(=O)C(CC(C)C)N)N)O |
| InChIKey | KDLUPVWOLLFUAU-LTVSEDGOSA-N |
Chemical Property Profile of Discobahamin B
Property Insights of Discobahamin B
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Discobahamin B. The TPSA of 336.0 Ų indicates high polarity, suggesting Discobahamin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Discobahamin B has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Discobahamin B?
The CAS number of Discobahamin B is 155547-94-7.
What is the molecular formula of Discobahamin B?
The molecular formula of Discobahamin B is C48H67N9O11.
What is the molecular weight of Discobahamin B?
The molecular weight of Discobahamin B is 945.49603 g/mol.
Where can I buy Discobahamin B?
You can request a quote for Discobahamin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Discobahamin B?
Yes, CoreyChem provides custom synthesis services for Discobahamin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.