nafenopin-coenzyme A
TL;DR: nafenopin-coenzyme A (CAS 112195-81-0) is a chemical compound with molecular formula C41H56N7O18P3S and molecular weight 1059.26 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-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanethioate
Also Known As: Nafenopin-coa, Nafenopin-coenzyme A, Coenzyme A, nafenopin-, Nafenopin-CoA; (Acyl-CoA); [M+H]+;, SID:53788855
| Molecular Formula | C41H56N7O18P3S |
|---|---|
| Molecular Weight | 1059.26 g/mol |
| LogP | 2.9905 |
| Topological Polar Surface Area | 372.86 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Exact Mass | 1059.2616 |
| Heavy Atoms | 70 |
| Complexity | 2654.2932 |
Chemical Identifiers
| CAS Number | 112195-81-0 |
|---|---|
| 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)C(C)(C)OC4=CC=C(C=C4)C5CCCC6=CC=CC=C56)O |
Product Overview
nafenopin-coenzyme A (CAS 112195-81-0), with molecular formula C41H56N7O18P3S and molecular weight 1059.26 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-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanethioate.
Chemical Property Profile of nafenopin-coenzyme A
Property Insights of nafenopin-coenzyme A
The XLogP value of 2.9905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for nafenopin-coenzyme A. The TPSA of 372.86 Ų indicates high polarity, suggesting nafenopin-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, nafenopin-coenzyme A has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of nafenopin-coenzyme A?
The CAS number of nafenopin-coenzyme A is 112195-81-0.
What is the molecular formula of nafenopin-coenzyme A?
The molecular formula of nafenopin-coenzyme A is C41H56N7O18P3S.
What is the molecular weight of nafenopin-coenzyme A?
The molecular weight of nafenopin-coenzyme A is 1059.26 g/mol.
Where can I buy nafenopin-coenzyme A?
You can request a quote for nafenopin-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nafenopin-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for nafenopin-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.