CoA-s-acetyl tryptamine
TL;DR: CoA-s-acetyl tryptamine (CAS 210549-95-4) is a chemical compound with molecular formula C33H48N9O17P3S and molecular weight 967.21 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)-3-hydroxy-4-[[3-[2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
Also Known As: coa-s-acetyl tryptamine, CoA-S-acetyl-tryptamine, CoA-s-acetyl tryptamine; (Acyl-CoA); [M+H]+;, S-[2-(1H-Indole-3-yl)ethylcarbamoylmethyl]coenzyme A, N0001-013363
| Molecular Formula | C33H48N9O17P3S |
|---|---|
| Molecular Weight | 967.21 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 417.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 24 |
| Exact Mass | 967.21014 |
| Heavy Atoms | 63 |
| Complexity | 1710.0 |
Chemical Identifiers
| CAS Number | 210549-95-4 |
|---|---|
| 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=CC=CC=C54)O |
| InChIKey | ZRDQFWRSRPZOSQ-GMHMEAMDSA-N |
Product Overview
CoA-s-acetyl tryptamine (CAS 210549-95-4), with molecular formula C33H48N9O17P3S and molecular weight 967.21 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate.
Chemical Property Profile of CoA-s-acetyl tryptamine
Property Insights of CoA-s-acetyl tryptamine
The XLogP value of -4.0 indicates that CoA-s-acetyl tryptamine 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 tryptamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CoA-s-acetyl tryptamine 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 tryptamine?
The CAS number of CoA-s-acetyl tryptamine is 210549-95-4.
What is the molecular formula of CoA-s-acetyl tryptamine?
The molecular formula of CoA-s-acetyl tryptamine is C33H48N9O17P3S.
What is the molecular weight of CoA-s-acetyl tryptamine?
The molecular weight of CoA-s-acetyl tryptamine is 967.21 g/mol.
Where can I buy CoA-s-acetyl tryptamine?
You can request a quote for CoA-s-acetyl tryptamine 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 tryptamine?
Yes, KEHONG BIO provides custom synthesis services for CoA-s-acetyl tryptamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.