3-Methylglutaconyl-CoA
TL;DR: 3-Methylglutaconyl-CoA (CAS 6247-73-0) is a chemical compound with molecular formula C27H42N7O19P3S and molecular weight 893.1469 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[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]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid
Also Known As: 3-Methylglutaconyl-CoA, 3-Methylglutaconyl-CoA (achiral), 2,6-dimethyl-octa-2,6-dienedioic acid, 5-[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]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid, 3-Methyl Glutaconyl CoA (mixture of regioisomers)
Technical Specifications
| Molecular Formula | C27H42N7O19P3S |
| Molecular Weight | 893.1469 g/mol |
| XLogP | -5.1 |
| Topological Polar Surface Area (TPSA) | 426.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Exact Mass | 893.1469 Da |
| Heavy Atoms | 57 |
| Complexity | 1620.0 |
| SMILES | CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)CC(=O)O |
| InChIKey | GXKSHRDAHFLWPN-UHFFFAOYSA-N |
Product Description
Applications: 3-Methylglutaconyl-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Methylglutaconyl-CoA (CAS 6247-73-0) is a fine chemical with the molecular formula C27H42N7O19P3S and a molecular weight of 893.15 g/mol. Synonyms include 3-Methylglutaconyl-CoA and 3-Methylglutaconyl-CoA (achiral).
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Methylglutaconyl-CoA
Property Insights of 3-Methylglutaconyl-CoA
The XLogP value of -5.1 indicates that 3-Methylglutaconyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting 3-Methylglutaconyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Methylglutaconyl-CoA has 10 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Methylglutaconyl-CoA?
The CAS number of 3-Methylglutaconyl-CoA is 6247-73-0.
What is the molecular formula of 3-Methylglutaconyl-CoA?
The molecular formula of 3-Methylglutaconyl-CoA is C27H42N7O19P3S.
What is the molecular weight of 3-Methylglutaconyl-CoA?
The molecular weight of 3-Methylglutaconyl-CoA is 893.1469 g/mol.
What are the applications of 3-Methylglutaconyl-CoA?
3-Methylglutaconyl-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy 3-Methylglutaconyl-CoA?
You can request a quote for 3-Methylglutaconyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylglutaconyl-CoA?
Yes, CoreyChem provides custom synthesis services for 3-Methylglutaconyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.