Halocyamine B
TL;DR: Halocyamine B (CAS 122548-04-3) is a chemical compound with molecular formula C29H32BrN7O6 and molecular weight 653.1597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide
Also Known As: Halocyamine B, (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide, Threonyl-6,7-dihydroxyphenylalanyl-histidyl-6-bromo-8,9-didehydrotryptamine, (2S,3R)-2-amino-N-((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl)-N-((2S)-2-(((Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)amino)-3-(1H-imidazol-5-yl)propanoyl)-3-hydroxybutanamide, 2-amino-N-(1-((1-(((Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)amino)-3-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl)-3-hydroxybutanamide
Technical Specifications
| Molecular Formula | C29H32BrN7O6 |
| Molecular Weight | 653.1597 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 224.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 653.1597 Da |
| Heavy Atoms | 43 |
| Complexity | 1010.0 |
| SMILES | C[C@H]([C@@H](C(=O)N(C(=O)[C@H](CC1=CC(=C(C=C1)O)O)N)C(=O)[C@H](CC2=CN=CN2)N/C=C\C3=CNC4=C3C=CC(=C4)Br)N)O |
| InChIKey | AOYPXEUCIFBDES-IKEBQYQCSA-N |
Chemical Property Profile of Halocyamine B
Property Insights of Halocyamine B
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Halocyamine B. The TPSA of 224.0 Ų indicates high polarity, suggesting Halocyamine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Halocyamine B has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Halocyamine B?
The CAS number of Halocyamine B is 122548-04-3.
What is the molecular formula of Halocyamine B?
The molecular formula of Halocyamine B is C29H32BrN7O6.
What is the molecular weight of Halocyamine B?
The molecular weight of Halocyamine B is 653.1597 g/mol.
Where can I buy Halocyamine B?
You can request a quote for Halocyamine B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Halocyamine B?
Yes, CoreyChem provides custom synthesis services for Halocyamine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.