Halocyamine A
TL;DR: Halocyamine A (CAS 122548-03-2) is a chemical compound with molecular formula C27H28BrN7O5 and molecular weight 609.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-2-oxoethyl]-3-(3,4-dihydroxyphenyl)propanamide
Also Known As: Halocyamine A, Histidyl-6,7-dihydroxyphenylalanylglycyl-6-bromo-8,9-didehydrotryptamine, (2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide, 2-((2-amino-3-(1H-imidazol-5-yl)propanoyl)amino)-N-(2-(((Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)amino)-2-oxoethyl)-3-(3,4-dihydroxyphenyl)propanamide, 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-2-oxoethyl]-3-(3,4-dihydroxyphenyl)propanamide
| Molecular Formula | C27H28BrN7O5 |
|---|---|
| Molecular Weight | 609.13 g/mol |
| LogP | 1.5653 |
| Topological Polar Surface Area | 198.25 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 609.13354 |
| Heavy Atoms | 40 |
| Complexity | 1533.563 |
Chemical Identifiers
| CAS Number | 122548-03-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(C(=O)NCC(=O)N/C=C\C2=CNC3=C2C=CC(=C3)Br)NC(=O)C(CC4=CN=CN4)N)O)O |
Product Overview
Halocyamine A (CAS 122548-03-2), with molecular formula C27H28BrN7O5 and molecular weight 609.13 g/mol. IUPAC: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-2-oxoethyl]-3-(3,4-dihydroxyphenyl)propanamide.
Chemical Property Profile of Halocyamine A
Property Insights of Halocyamine A
The XLogP value of 1.5653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Halocyamine A. The TPSA of 198.25 Ų indicates high polarity, suggesting Halocyamine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Halocyamine A has 8 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Halocyamine A?
The CAS number of Halocyamine A is 122548-03-2.
What is the molecular formula of Halocyamine A?
The molecular formula of Halocyamine A is C27H28BrN7O5.
What is the molecular weight of Halocyamine A?
The molecular weight of Halocyamine A is 609.13 g/mol.
Where can I buy Halocyamine A?
You can request a quote for Halocyamine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halocyamine A?
Yes, KEHONG BIO provides custom synthesis services for Halocyamine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.