CoA-S-acetyl 5-bromotryptamine
TL;DR: CoA-S-acetyl 5-bromotryptamine (CAS 252860-65-4) is a chemical compound with molecular formula C33H47BrN9O17P3S and molecular weight 1045.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
Also Known As: COA-S-ACETYL 5-BROMOTRYPTAMINE, CoA-S-acetyl-5-bromotryptamine, J1.703.086H, S-[2-(5-Bromo-1H-indole-3-yl)ethylcarbamoylmethyl]coenzyme A, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
| Molecular Formula | C33H47BrN9O17P3S |
|---|---|
| Molecular Weight | 1045.12 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 417.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 24 |
| Exact Mass | 1045.1207 |
| Heavy Atoms | 64 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 252860-65-4 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCC4=CNC5=C4C=C(C=C5)Br)O |
| InChIKey | BBDVCGJBELWXIQ-GMHMEAMDSA-N |
Product Overview
CoA-S-acetyl 5-bromotryptamine (CAS 252860-65-4), with molecular formula C33H47BrN9O17P3S and molecular weight 1045.12 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate.
Chemical Property Profile of CoA-S-acetyl 5-bromotryptamine
Property Insights of CoA-S-acetyl 5-bromotryptamine
The XLogP value of -3.3 indicates that CoA-S-acetyl 5-bromotryptamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 417.0 Ų indicates high polarity, suggesting CoA-S-acetyl 5-bromotryptamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CoA-S-acetyl 5-bromotryptamine has 11 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CoA-S-acetyl 5-bromotryptamine?
The CAS number of CoA-S-acetyl 5-bromotryptamine is 252860-65-4.
What is the molecular formula of CoA-S-acetyl 5-bromotryptamine?
The molecular formula of CoA-S-acetyl 5-bromotryptamine is C33H47BrN9O17P3S.
What is the molecular weight of CoA-S-acetyl 5-bromotryptamine?
The molecular weight of CoA-S-acetyl 5-bromotryptamine is 1045.12 g/mol.
Where can I buy CoA-S-acetyl 5-bromotryptamine?
You can request a quote for CoA-S-acetyl 5-bromotryptamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CoA-S-acetyl 5-bromotryptamine?
Yes, KEHONG BIO provides custom synthesis services for CoA-S-acetyl 5-bromotryptamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.