4-Acetamidobutanoyl-CoA
TL;DR: 4-Acetamidobutanoyl-CoA (CAS 74833-91-3) is a chemical compound with molecular formula C27H45N8O18P3S and molecular weight 894.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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] 4-acetamidobutanethioate
Also Known As: 4-Acetamidobutanoyl-CoA, 4-Acetamidobutyryl-coa, 4-Aab-coa, 4-Acetamidobutyryl-coenzyme A, Coenzyme A, 4-acetamidobutyryl-
| Molecular Formula | C27H45N8O18P3S |
|---|---|
| Molecular Weight | 894.18 g/mol |
| LogP | -6.0 |
| Topological Polar Surface Area | 418.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Exact Mass | 894.1785 |
| Heavy Atoms | 57 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 74833-91-3 |
|---|---|
| SMILES | CC(=O)NCCCC(=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 |
| InChIKey | UEKGDRAHBCQADD-HDRQGHTBSA-N |
Product Overview
4-Acetamidobutanoyl-CoA (CAS 74833-91-3), with molecular formula C27H45N8O18P3S and molecular weight 894.18 g/mol. IUPAC: 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] 4-acetamidobutanethioate.
Chemical Property Profile of 4-Acetamidobutanoyl-CoA
Property Insights of 4-Acetamidobutanoyl-CoA
The XLogP value of -6.0 indicates that 4-Acetamidobutanoyl-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 4-Acetamidobutanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Acetamidobutanoyl-CoA has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Acetamidobutanoyl-CoA?
The CAS number of 4-Acetamidobutanoyl-CoA is 74833-91-3.
What is the molecular formula of 4-Acetamidobutanoyl-CoA?
The molecular formula of 4-Acetamidobutanoyl-CoA is C27H45N8O18P3S.
What is the molecular weight of 4-Acetamidobutanoyl-CoA?
The molecular weight of 4-Acetamidobutanoyl-CoA is 894.18 g/mol.
Where can I buy 4-Acetamidobutanoyl-CoA?
You can request a quote for 4-Acetamidobutanoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamidobutanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamidobutanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.