3-Hydroxybutyryl-coa
TL;DR: 3-Hydroxybutyryl-coa (CAS 1259998-21-4) is a chemical compound with molecular formula C25H42N7O18P3S and molecular weight 853.152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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-hydroxybutanethioate
Also Known As: 3-hydroxybutyryl-CoA, 3-Hydroxybutyryl-coenzyme A, beta-hydroxybutyryl-CoA, 3-hydroxybutanoyl-CoA, beta-Hydroxybutyryl-coenzyme A
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H42N7O18P3S |
| Molecular Weight | 853.152 g/mol |
| XLogP | -5.9 |
| Topological Polar Surface Area (TPSA) | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Exact Mass | 853.152 Da |
| Heavy Atoms | 54 |
| Complexity | 1450.0 |
| SMILES | CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O)O |
| InChIKey | QHHKKMYHDBRONY-RMNRSTNRSA-N |
Chemical Property Profile of 3-Hydroxybutyryl-coa
Property Insights of 3-Hydroxybutyryl-coa
The XLogP value of -5.9 indicates that 3-Hydroxybutyryl-coa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.0 Ų indicates high polarity, suggesting 3-Hydroxybutyryl-coa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxybutyryl-coa has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Hydroxybutyryl-coa?
The CAS number of 3-Hydroxybutyryl-coa is 1259998-21-4.
What is the molecular formula of 3-Hydroxybutyryl-coa?
The molecular formula of 3-Hydroxybutyryl-coa is C25H42N7O18P3S.
What is the molecular weight of 3-Hydroxybutyryl-coa?
The molecular weight of 3-Hydroxybutyryl-coa is 853.152 g/mol.
Where can I buy 3-Hydroxybutyryl-coa?
You can request a quote for 3-Hydroxybutyryl-coa directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxybutyryl-coa?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxybutyryl-coa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.