c0885
TL;DR: c0885 (CAS 1245945-82-7) is a chemical compound with molecular formula C31H50N7O17P3S and molecular weight 917.22 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] (Z)-2,6-dimethyl-5-methylidenehept-2-enethioate
Also Known As: c0885, cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA, cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C31H50N7O17P3S |
|---|---|
| Molecular Weight | 917.22 g/mol |
| LogP | 1.2133 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Exact Mass | 917.21967 |
| Heavy Atoms | 59 |
| Complexity | 2011.3782 |
Chemical Identifiers
| CAS Number | 1245945-82-7 |
|---|---|
| SMILES | CC(C)C(=C)C/C=C(/C)\C(=O)SCCNC(=O)CCNC(=O)[C@@H](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 |
Product Overview
c0885 (CAS 1245945-82-7), with molecular formula C31H50N7O17P3S and molecular weight 917.22 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] (Z)-2,6-dimethyl-5-methylidenehept-2-enethioate.
Chemical Property Profile of c0885
Property Insights of c0885
The XLogP value of 1.2133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for c0885. The TPSA of 363.63 Ų indicates high polarity, suggesting c0885 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, c0885 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 c0885?
The CAS number of c0885 is 1245945-82-7.
What is the molecular formula of c0885?
The molecular formula of c0885 is C31H50N7O17P3S.
What is the molecular weight of c0885?
The molecular weight of c0885 is 917.22 g/mol.
Where can I buy c0885?
You can request a quote for c0885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for c0885?
Yes, KEHONG BIO provides custom synthesis services for c0885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.