Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)
TL;DR: Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) (CAS 72471-59-1) is a chemical compound with molecular formula C32H44N7O20P3S and molecular weight 971.1575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[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]ethylsulfanylcarbonyl]phenyl]-4-oxobutanoic acid
Also Known As: 2-Succinylbenzoyl-CoA, 2-Succinylbenzoyl-coenzyme A, ortho-Succinylbenzoyl-coa, Coenzyme A, 2-succinylbenzoic acid-, Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)
Technical Specifications
| Molecular Formula | C32H44N7O20P3S |
| Molecular Weight | 971.1575 g/mol |
| XLogP | -4.9 |
| Topological Polar Surface Area (TPSA) | 443.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Exact Mass | 971.1575 Da |
| Heavy Atoms | 63 |
| Complexity | 1780.0 |
| 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)C4=CC=CC=C4C(=O)CCC(=O)O)O |
| InChIKey | AVOVYFCDODUXLY-UHFFFAOYSA-N |
Chemical Property Profile of Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)
Property Insights of Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)
The XLogP value of -4.9 indicates that Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 443.0 Ų indicates high polarity, suggesting Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) has 10 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)?
The CAS number of Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) is 72471-59-1.
What is the molecular formula of Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)?
The molecular formula of Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) is C32H44N7O20P3S.
What is the molecular weight of Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)?
The molecular weight of Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) is 971.1575 g/mol.
Where can I buy Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)?
You can request a quote for Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)?
Yes, CoreyChem provides custom synthesis services for Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.