12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A
TL;DR: 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A (CAS 130766-07-3) is a chemical compound with molecular formula C39H60N11O20P3S and molecular weight 1127.29 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] 12-(4-azido-2-nitrophenoxy)dodecanethioate
Also Known As: And-coa, Coa, and-, Coa,and, 12-(4'-Azido-2'-nitrophenoxy)dodecanoyl-coenzyme A, Coenzyme A, S-(12-(4-azido-2-nitrophenoxy)dodecanoate)
| Molecular Formula | C39H60N11O20P3S |
|---|---|
| Molecular Weight | 1127.29 g/mol |
| LogP | 4.4947 |
| Topological Polar Surface Area | 464.76 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Exact Mass | 1127.2949 |
| Heavy Atoms | 74 |
| Complexity | 2587.7664 |
Chemical Identifiers
| CAS Number | 130766-07-3 |
|---|---|
| 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)NCCSC(=O)CCCCCCCCCCCOC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-])O |
Product Overview
12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A (CAS 130766-07-3), with molecular formula C39H60N11O20P3S and molecular weight 1127.29 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] 12-(4-azido-2-nitrophenoxy)dodecanethioate.
Chemical Property Profile of 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A
Property Insights of 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A
The XLogP value of 4.4947 indicates that 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 464.76 Ų indicates high polarity, suggesting 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-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 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A?
The CAS number of 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A is 130766-07-3.
What is the molecular formula of 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A?
The molecular formula of 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A is C39H60N11O20P3S.
What is the molecular weight of 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A?
The molecular weight of 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A is 1127.29 g/mol.
Where can I buy 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A?
You can request a quote for 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 12-(4'-azido-2'-nitrophenoxy)dodecanoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.