3-hydroxyadipyl-CoA
TL;DR: 3-hydroxyadipyl-CoA (CAS 25157-96-4) is a chemical compound with molecular formula C27H44N7O20P3S and molecular weight 911.16 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-hydroxy-6-oxohexanoic acid
Also Known As: 3-hydroxyadipyl-CoA, 3-hydroxyadipoyl-CoA, 3-hydroxyadipoyl-coenzyme A, 3-Hydroxypentanoyl-CoA, S-(5-carboxy-3-hydroxypentanoyl)-CoA
| Molecular Formula | C27H44N7O20P3S |
|---|---|
| Molecular Weight | 911.16 g/mol |
| LogP | -1.7195 |
| Topological Polar Surface Area | 421.16 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Exact Mass | 911.1575 |
| Heavy Atoms | 58 |
| Complexity | 1917.8242 |
Chemical Identifiers
| CAS Number | 25157-96-4 |
|---|---|
| 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(CCC(=O)O)O)O |
Product Overview
3-hydroxyadipyl-CoA (CAS 25157-96-4), with molecular formula C27H44N7O20P3S and molecular weight 911.16 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-hydroxy-6-oxohexanoic acid.
Chemical Property Profile of 3-hydroxyadipyl-CoA
Property Insights of 3-hydroxyadipyl-CoA
The XLogP value of -1.7195 indicates that 3-hydroxyadipyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 421.16 Ų indicates high polarity, suggesting 3-hydroxyadipyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-hydroxyadipyl-CoA has 11 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-hydroxyadipyl-CoA?
The CAS number of 3-hydroxyadipyl-CoA is 25157-96-4.
What is the molecular formula of 3-hydroxyadipyl-CoA?
The molecular formula of 3-hydroxyadipyl-CoA is C27H44N7O20P3S.
What is the molecular weight of 3-hydroxyadipyl-CoA?
The molecular weight of 3-hydroxyadipyl-CoA is 911.16 g/mol.
Where can I buy 3-hydroxyadipyl-CoA?
You can request a quote for 3-hydroxyadipyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxyadipyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxyadipyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.