tropoyl-coenzyme A
TL;DR: tropoyl-coenzyme A (CAS 74717-87-6) is a chemical compound with molecular formula C30H44N7O18P3S and molecular weight 915.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-2-phenylpropanethioate
Also Known As: Tropoyl-coa, Tropoyl-coenzyme A, Coenzyme A, tropoyl-, S-[a-(Hydroxymethyl)benzeneacetate]-CoA, Tropoyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C30H44N7O18P3S |
|---|---|
| Molecular Weight | 915.17 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Exact Mass | 915.16766 |
| Heavy Atoms | 59 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 74717-87-6 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(CO)C4=CC=CC=C4)O |
| InChIKey | MALGIDLHCBJJKW-UHFFFAOYSA-N |
Product Overview
tropoyl-coenzyme A (CAS 74717-87-6), with molecular formula C30H44N7O18P3S and molecular weight 915.17 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-2-phenylpropanethioate.
Chemical Property Profile of tropoyl-coenzyme A
Property Insights of tropoyl-coenzyme A
The XLogP value of -4.7 indicates that tropoyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.0 Ų indicates high polarity, suggesting tropoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tropoyl-coenzyme A has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tropoyl-coenzyme A?
The CAS number of tropoyl-coenzyme A is 74717-87-6.
What is the molecular formula of tropoyl-coenzyme A?
The molecular formula of tropoyl-coenzyme A is C30H44N7O18P3S.
What is the molecular weight of tropoyl-coenzyme A?
The molecular weight of tropoyl-coenzyme A is 915.17 g/mol.
Where can I buy tropoyl-coenzyme A?
You can request a quote for tropoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tropoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for tropoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.