Cyclohexadiene-1-carboxylate coenzyme a
TL;DR: Cyclohexadiene-1-carboxylate coenzyme a (CAS 148471-94-7) is a chemical compound with molecular formula C28H42N7O17P3S and molecular weight 873.16 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] cyclohexa-1,5-diene-1-carbothioate
Also Known As: Cyclohexa-1,5-dienecarbonyl-CoA, c0212, Cyclohex-1,5-diene-1-carboxyl-CoA, Cyclohexa-1,5-diene-1-carbonyl-CoA, Cyclohexadiene-1-carboxylate coenzyme a
| Molecular Formula | C28H42N7O17P3S |
|---|---|
| Molecular Weight | 873.16 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 873.1571 |
| Heavy Atoms | 56 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 148471-94-7 |
|---|---|
| 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(C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O |
| InChIKey | IHXBZDHPKCDGKN-VBDPZXIHSA-N |
Product Overview
Cyclohexadiene-1-carboxylate coenzyme a (CAS 148471-94-7), with molecular formula C28H42N7O17P3S and molecular weight 873.16 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] cyclohexa-1,5-diene-1-carbothioate.
Chemical Property Profile of Cyclohexadiene-1-carboxylate coenzyme a
Property Insights of Cyclohexadiene-1-carboxylate coenzyme a
The XLogP value of -4.0 indicates that Cyclohexadiene-1-carboxylate coenzyme a is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Cyclohexadiene-1-carboxylate coenzyme a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclohexadiene-1-carboxylate 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 Cyclohexadiene-1-carboxylate coenzyme a?
The CAS number of Cyclohexadiene-1-carboxylate coenzyme a is 148471-94-7.
What is the molecular formula of Cyclohexadiene-1-carboxylate coenzyme a?
The molecular formula of Cyclohexadiene-1-carboxylate coenzyme a is C28H42N7O17P3S.
What is the molecular weight of Cyclohexadiene-1-carboxylate coenzyme a?
The molecular weight of Cyclohexadiene-1-carboxylate coenzyme a is 873.16 g/mol.
Where can I buy Cyclohexadiene-1-carboxylate coenzyme a?
You can request a quote for Cyclohexadiene-1-carboxylate coenzyme a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexadiene-1-carboxylate coenzyme a?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexadiene-1-carboxylate coenzyme a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.