2,4-Dichlorobenzoyl-CoA
TL;DR: 2,4-Dichlorobenzoyl-CoA (CAS 150693-18-8) is a chemical compound with molecular formula C28H38Cl2N7O17P3S and molecular weight 939.06 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] 2,4-dichlorobenzenecarbothioate
Also Known As: 2,4-Dichlorobenzoyl-CoA, 2,4-dichlorobenzoyl-coenzyme A, c0189, 2,4-Dichlorobenzoyl-CoA; (Acyl-CoA); [M+H]+;, 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,4-dichlorobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
| Molecular Formula | C28H38Cl2N7O17P3S |
|---|---|
| Molecular Weight | 939.06 g/mol |
| LogP | 1.2853 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 939.0635 |
| Heavy Atoms | 58 |
| Complexity | 2131.3484 |
Chemical Identifiers
| CAS Number | 150693-18-8 |
|---|---|
| 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)C4=C(C=C(C=C4)Cl)Cl)O |
Product Overview
2,4-Dichlorobenzoyl-CoA (CAS 150693-18-8), with molecular formula C28H38Cl2N7O17P3S and molecular weight 939.06 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] 2,4-dichlorobenzenecarbothioate.
Chemical Property Profile of 2,4-Dichlorobenzoyl-CoA
Property Insights of 2,4-Dichlorobenzoyl-CoA
The XLogP value of 1.2853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichlorobenzoyl-CoA. The TPSA of 363.63 Ų indicates high polarity, suggesting 2,4-Dichlorobenzoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dichlorobenzoyl-CoA has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Dichlorobenzoyl-CoA?
The CAS number of 2,4-Dichlorobenzoyl-CoA is 150693-18-8.
What is the molecular formula of 2,4-Dichlorobenzoyl-CoA?
The molecular formula of 2,4-Dichlorobenzoyl-CoA is C28H38Cl2N7O17P3S.
What is the molecular weight of 2,4-Dichlorobenzoyl-CoA?
The molecular weight of 2,4-Dichlorobenzoyl-CoA is 939.06 g/mol.
Where can I buy 2,4-Dichlorobenzoyl-CoA?
You can request a quote for 2,4-Dichlorobenzoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.