anthraniloyl-CoA
TL;DR: anthraniloyl-CoA (CAS 31143-02-9) is a chemical compound with molecular formula C28H41N8O17P3S and molecular weight 886.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-aminobenzenecarbothioate
Also Known As: Anthranilyl-CoA, anthraniloyl-CoA, 2-Aminobenzoyl-CoA, anthranilyl-coenzyme A, anthraniloyl-coenzyme A
| Molecular Formula | C28H41N8O17P3S |
|---|---|
| Molecular Weight | 886.15 g/mol |
| LogP | -0.4393 |
| Topological Polar Surface Area | 389.65 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Exact Mass | 886.15234 |
| Heavy Atoms | 57 |
| Complexity | 2071.716 |
Chemical Identifiers
| CAS Number | 31143-02-9 |
|---|---|
| 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)NCCSC(=O)C4=CC=CC=C4N)O |
Product Overview
anthraniloyl-CoA (CAS 31143-02-9), with molecular formula C28H41N8O17P3S and molecular weight 886.15 g/mol. IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-aminobenzenecarbothioate.
Chemical Property Profile of anthraniloyl-CoA
Property Insights of anthraniloyl-CoA
The XLogP value of -0.4393 indicates that anthraniloyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.65 Ų indicates high polarity, suggesting anthraniloyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, anthraniloyl-CoA has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of anthraniloyl-CoA?
The CAS number of anthraniloyl-CoA is 31143-02-9.
What is the molecular formula of anthraniloyl-CoA?
The molecular formula of anthraniloyl-CoA is C28H41N8O17P3S.
What is the molecular weight of anthraniloyl-CoA?
The molecular weight of anthraniloyl-CoA is 886.15 g/mol.
Where can I buy anthraniloyl-CoA?
You can request a quote for anthraniloyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anthraniloyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for anthraniloyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.