pyrenedodecanoyl-coenzyme A
TL;DR: pyrenedodecanoyl-coenzyme A (CAS 99165-87-4) is a chemical compound with molecular formula C49H66N7O17P3S and molecular weight 1149.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 12-pyren-1-yldodecanethioate
Also Known As: PDCoA, Pyrenedodecanoyl-coa, Pyrenedodecanoyl-coenzyme A, Coenzyme A, pyrenedodecanoyl-, Coenzyme A, S-1-pyrenedodecanoate
| Molecular Formula | C49H66N7O17P3S |
|---|---|
| Molecular Weight | 1149.34 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 32 |
| Exact Mass | 1149.3448 |
| Heavy Atoms | 77 |
| Complexity | 2090.0 |
Chemical Identifiers
| CAS Number | 99165-87-4 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)O |
| InChIKey | BPNVONKYJJXBQT-UHFFFAOYSA-N |
Product Overview
pyrenedodecanoyl-coenzyme A (CAS 99165-87-4), with molecular formula C49H66N7O17P3S and molecular weight 1149.34 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 12-pyren-1-yldodecanethioate.
Chemical Property Profile of pyrenedodecanoyl-coenzyme A
Property Insights of pyrenedodecanoyl-coenzyme A
The XLogP value of 4.0 indicates that pyrenedodecanoyl-coenzyme A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 389.0 Ų indicates high polarity, suggesting pyrenedodecanoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pyrenedodecanoyl-coenzyme A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pyrenedodecanoyl-coenzyme A?
The CAS number of pyrenedodecanoyl-coenzyme A is 99165-87-4.
What is the molecular formula of pyrenedodecanoyl-coenzyme A?
The molecular formula of pyrenedodecanoyl-coenzyme A is C49H66N7O17P3S.
What is the molecular weight of pyrenedodecanoyl-coenzyme A?
The molecular weight of pyrenedodecanoyl-coenzyme A is 1149.34 g/mol.
Where can I buy pyrenedodecanoyl-coenzyme A?
You can request a quote for pyrenedodecanoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrenedodecanoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for pyrenedodecanoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.