beta-(2-Furyl)propionyl-coenzyme A
TL;DR: beta-(2-Furyl)propionyl-coenzyme A (CAS 75368-14-8) is a chemical compound with molecular formula C28H42N7O18P3S and molecular weight 889.15 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] 3-(furan-2-yl)propanethioate
Also Known As: FPCoA, 2-Furylpropionyl-CoA, beta-(2-Furyl)propionyl-CoA, Coenzyme A, S-2-furanpropanoate, beta-(2-Furyl)propionyl-coenzyme A
| Molecular Formula | C28H42N7O18P3S |
|---|---|
| Molecular Weight | 889.15 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 402.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Exact Mass | 889.152 |
| Heavy Atoms | 57 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 75368-14-8 |
|---|---|
| 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)CCC4=CC=CO4)O |
| InChIKey | ZZJUUVMUQVPHBB-SVHODSNWSA-N |
Product Overview
beta-(2-Furyl)propionyl-coenzyme A (CAS 75368-14-8), with molecular formula C28H42N7O18P3S and molecular weight 889.15 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] 3-(furan-2-yl)propanethioate.
Chemical Property Profile of beta-(2-Furyl)propionyl-coenzyme A
Property Insights of beta-(2-Furyl)propionyl-coenzyme A
The XLogP value of -4.7 indicates that beta-(2-Furyl)propionyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 402.0 Ų indicates high polarity, suggesting beta-(2-Furyl)propionyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-(2-Furyl)propionyl-coenzyme A has 9 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 beta-(2-Furyl)propionyl-coenzyme A?
The CAS number of beta-(2-Furyl)propionyl-coenzyme A is 75368-14-8.
What is the molecular formula of beta-(2-Furyl)propionyl-coenzyme A?
The molecular formula of beta-(2-Furyl)propionyl-coenzyme A is C28H42N7O18P3S.
What is the molecular weight of beta-(2-Furyl)propionyl-coenzyme A?
The molecular weight of beta-(2-Furyl)propionyl-coenzyme A is 889.15 g/mol.
Where can I buy beta-(2-Furyl)propionyl-coenzyme A?
You can request a quote for beta-(2-Furyl)propionyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(2-Furyl)propionyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for beta-(2-Furyl)propionyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.