CTK4I0502
TL;DR: CTK4I0502 (CAS 38795-33-4) 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-[[[(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] tetradec-2-enethioate
Also Known As: trans-D2,3-Tetradecenoyl-CoA, Coenzyme A,S-(2E)-2-tetradecenoate, S-[2-[3-[[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] tetradec-2-enethioate, S-{1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradec-2-enethioate
| Molecular Formula | C35H60N7O17P3S |
|---|---|
| Molecular Weight | 975.30 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 31 |
| Exact Mass | 975.2979 |
| Heavy Atoms | 63 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 38795-33-4 |
|---|---|
| SMILES | CCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(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)O |
| InChIKey | MBCVYCOKMMMWLX-XVDJLSDJSA-N |
Product Overview
CTK4I0502 (CAS 38795-33-4), with molecular formula C35H60N7O17P3S and molecular weight 975.30 g/mol. IUPAC: S-[2-[3-[[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] tetradec-2-enethioate.
Chemical Property Profile of CTK4I0502
Property Insights of CTK4I0502
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4I0502. The TPSA of 389.0 Ų indicates high polarity, suggesting CTK4I0502 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4I0502 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 CTK4I0502?
The CAS number of CTK4I0502 is 38795-33-4.
What is the molecular formula of CTK4I0502?
The molecular formula of CTK4I0502 is C35H60N7O17P3S.
What is the molecular weight of CTK4I0502?
The molecular weight of CTK4I0502 is 975.30 g/mol.
Where can I buy CTK4I0502?
You can request a quote for CTK4I0502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4I0502?
Yes, KEHONG BIO provides custom synthesis services for CTK4I0502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.