S-dimethylarsino-coenzyme A
TL;DR: S-dimethylarsino-coenzyme A (CAS 88978-30-7) is a chemical compound with molecular formula C23H41AsN7O16P3S and molecular weight 871.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(2-dimethylarsanylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
Also Known As: S-Dimethylarsino-coa, S-Dimethylarsino-coenzyme A, Coenzyme A, S-dimethylarsino-, S-(Dimethylarsinite)-CoA, Coenzyme A, S-(dimethylarsinite)
| Molecular Formula | C23H41AsN7O16P3S |
|---|---|
| Molecular Weight | 871.08 g/mol |
| LogP | -0.6108 |
| Topological Polar Surface Area | 372.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 20 |
| Exact Mass | 871.0759 |
| Heavy Atoms | 51 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 88978-30-7 |
|---|---|
| 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)NCCS[As](C)C)O |
| InChIKey | FBXNHMZUWPZXLI-ZSJPKINUSA-N |
Product Overview
S-dimethylarsino-coenzyme A (CAS 88978-30-7), with molecular formula C23H41AsN7O16P3S and molecular weight 871.08 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(2-dimethylarsanylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate.
Chemical Property Profile of S-dimethylarsino-coenzyme A
Property Insights of S-dimethylarsino-coenzyme A
The XLogP value of -0.6108 indicates that S-dimethylarsino-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 372.0 Ų indicates high polarity, suggesting S-dimethylarsino-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-dimethylarsino-coenzyme A has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-dimethylarsino-coenzyme A?
The CAS number of S-dimethylarsino-coenzyme A is 88978-30-7.
What is the molecular formula of S-dimethylarsino-coenzyme A?
The molecular formula of S-dimethylarsino-coenzyme A is C23H41AsN7O16P3S.
What is the molecular weight of S-dimethylarsino-coenzyme A?
The molecular weight of S-dimethylarsino-coenzyme A is 871.08 g/mol.
Where can I buy S-dimethylarsino-coenzyme A?
You can request a quote for S-dimethylarsino-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-dimethylarsino-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for S-dimethylarsino-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.