3-oxoadipyl-CoA
TL;DR: 3-oxoadipyl-CoA (CAS 6008-96-4) is a chemical compound with molecular formula C27H42N7O20P3S and molecular weight 909.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[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]ethylsulfanyl]-4,6-dioxohexanoic acid
Also Known As: 3-oxoadipyl-CoA, beta-ketoadipyl-CoA, S-(5-carboxy-3-oxopentanoyl)-coenzyme A, 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}, 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-((5-carboxy-3-oxopentanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
| Molecular Formula | C27H42N7O20P3S |
|---|---|
| Molecular Weight | 909.14 g/mol |
| LogP | -1.5113 |
| Topological Polar Surface Area | 418.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Exact Mass | 909.14185 |
| Heavy Atoms | 58 |
| Complexity | 1964.9731 |
Chemical Identifiers
| CAS Number | 6008-96-4 |
|---|---|
| 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)CC(=O)CCC(=O)O)O |
Product Overview
3-oxoadipyl-CoA (CAS 6008-96-4), with molecular formula C27H42N7O20P3S and molecular weight 909.14 g/mol. IUPAC: 6-[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]ethylsulfanyl]-4,6-dioxohexanoic acid.
Chemical Property Profile of 3-oxoadipyl-CoA
Property Insights of 3-oxoadipyl-CoA
The XLogP value of -1.5113 indicates that 3-oxoadipyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 418.0 Ų indicates high polarity, suggesting 3-oxoadipyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-oxoadipyl-CoA has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-oxoadipyl-CoA?
The CAS number of 3-oxoadipyl-CoA is 6008-96-4.
What is the molecular formula of 3-oxoadipyl-CoA?
The molecular formula of 3-oxoadipyl-CoA is C27H42N7O20P3S.
What is the molecular weight of 3-oxoadipyl-CoA?
The molecular weight of 3-oxoadipyl-CoA is 909.14 g/mol.
Where can I buy 3-oxoadipyl-CoA?
You can request a quote for 3-oxoadipyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxoadipyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 3-oxoadipyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.