N-(2-(S-Coenzyme A)acetyl)spermidine
TL;DR: N-(2-(S-Coenzyme A)acetyl)spermidine (CAS 83889-68-3) is a chemical compound with molecular formula C30H55N10O17P3S and molecular weight 952.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(3R)-4-[[3-[2-[2-[4-(3-aminopropylamino)butylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: N-Coa-asp, N-(2-(S-Coa)acetyl)spermidine, N-(2-(S-Coenzyme A)acetyl)spermidine, N-Coa-asp; (Acyl-CoA); [M+H]+;, 5-n-Butyl-4-methoxypyridin-2-carbonsaeure
| Molecular Formula | C30H55N10O17P3S |
|---|---|
| Molecular Weight | 952.27 g/mol |
| LogP | -10.9 |
| Topological Polar Surface Area | 439.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 29 |
| Exact Mass | 952.268 |
| Heavy Atoms | 61 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 83889-68-3 |
|---|---|
| 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)NCCSCC(=O)NCCCCNCCCN)O |
| InChIKey | CSVGELBXUMEGSQ-FUEUKBNZSA-N |
Product Overview
N-(2-(S-Coenzyme A)acetyl)spermidine (CAS 83889-68-3), with molecular formula C30H55N10O17P3S and molecular weight 952.27 g/mol. IUPAC: [[(3R)-4-[[3-[2-[2-[4-(3-aminopropylamino)butylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of N-(2-(S-Coenzyme A)acetyl)spermidine
Property Insights of N-(2-(S-Coenzyme A)acetyl)spermidine
The XLogP value of -10.9 indicates that N-(2-(S-Coenzyme A)acetyl)spermidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 439.0 Ų indicates high polarity, suggesting N-(2-(S-Coenzyme A)acetyl)spermidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-(S-Coenzyme A)acetyl)spermidine has 12 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-(S-Coenzyme A)acetyl)spermidine?
The CAS number of N-(2-(S-Coenzyme A)acetyl)spermidine is 83889-68-3.
What is the molecular formula of N-(2-(S-Coenzyme A)acetyl)spermidine?
The molecular formula of N-(2-(S-Coenzyme A)acetyl)spermidine is C30H55N10O17P3S.
What is the molecular weight of N-(2-(S-Coenzyme A)acetyl)spermidine?
The molecular weight of N-(2-(S-Coenzyme A)acetyl)spermidine is 952.27 g/mol.
Where can I buy N-(2-(S-Coenzyme A)acetyl)spermidine?
You can request a quote for N-(2-(S-Coenzyme A)acetyl)spermidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(S-Coenzyme A)acetyl)spermidine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(S-Coenzyme A)acetyl)spermidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.