Coenzyme A,S-11-tetradecenoate, (Z)- (9CI)
TL;DR: Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) (CAS 150883-39-9) is a chemical compound with molecular formula C35H60N7O17P3S and molecular weight 975.30 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] tetradec-11-enethioate
Also Known As: Coenzyme A,S-11-tetradecenoate, (Z)- (9CI), 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] tetradec-11-enethioate
| Molecular Formula | C35H60N7O17P3S |
|---|---|
| Molecular Weight | 975.30 g/mol |
| LogP | 3.1418 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 30 |
| Exact Mass | 975.2979 |
| Heavy Atoms | 63 |
| Complexity | 1971.5876 |
Chemical Identifiers
| CAS Number | 150883-39-9 |
|---|---|
| SMILES | CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Product Overview
Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) (CAS 150883-39-9), with molecular formula C35H60N7O17P3S and molecular weight 975.30 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] tetradec-11-enethioate.
Chemical Property Profile of Coenzyme A,S-11-tetradecenoate, (Z)- (9CI)
Property Insights of Coenzyme A,S-11-tetradecenoate, (Z)- (9CI)
The XLogP value of 3.1418 indicates that Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 363.63 Ų indicates high polarity, suggesting Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Coenzyme A,S-11-tetradecenoate, (Z)- (9CI)?
The CAS number of Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) is 150883-39-9.
What is the molecular formula of Coenzyme A,S-11-tetradecenoate, (Z)- (9CI)?
The molecular formula of Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) is C35H60N7O17P3S.
What is the molecular weight of Coenzyme A,S-11-tetradecenoate, (Z)- (9CI)?
The molecular weight of Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) is 975.30 g/mol.
Where can I buy Coenzyme A,S-11-tetradecenoate, (Z)- (9CI)?
You can request a quote for Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coenzyme A,S-11-tetradecenoate, (Z)- (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Coenzyme A,S-11-tetradecenoate, (Z)- (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.