Coenzyme A, S-(hydrogen heptanedioate)
TL;DR: Coenzyme A, S-(hydrogen heptanedioate) (CAS 18907-20-5) is a chemical compound with molecular formula C28H46N7O19P3S and molecular weight 909.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[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]ethylsulfanyl]-7-oxoheptanoic acid
Also Known As: pimeloyl-CoA, Pimeloyl-coenzyme A, Pimelyl-CoA, Coenzyme A, pimeloyl-, pymeloyl-CoA
| Molecular Formula | C28H46N7O19P3S |
|---|---|
| Molecular Weight | 909.18 g/mol |
| LogP | -0.3002 |
| Topological Polar Surface Area | 400.93 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Exact Mass | 909.1782 |
| Heavy Atoms | 58 |
| Complexity | 1900.3214 |
Chemical Identifiers
| CAS Number | 18907-20-5 |
|---|---|
| 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)CCCCCC(=O)O)O |
Product Overview
Coenzyme A, S-(hydrogen heptanedioate) (CAS 18907-20-5), with molecular formula C28H46N7O19P3S and molecular weight 909.18 g/mol. IUPAC: 7-[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]ethylsulfanyl]-7-oxoheptanoic acid.
Chemical Property Profile of Coenzyme A, S-(hydrogen heptanedioate)
Property Insights of Coenzyme A, S-(hydrogen heptanedioate)
The XLogP value of -0.3002 indicates that Coenzyme A, S-(hydrogen heptanedioate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 400.93 Ų indicates high polarity, suggesting Coenzyme A, S-(hydrogen heptanedioate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-(hydrogen heptanedioate) has 10 hydrogen bond donor(s) and 19 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-(hydrogen heptanedioate)?
The CAS number of Coenzyme A, S-(hydrogen heptanedioate) is 18907-20-5.
What is the molecular formula of Coenzyme A, S-(hydrogen heptanedioate)?
The molecular formula of Coenzyme A, S-(hydrogen heptanedioate) is C28H46N7O19P3S.
What is the molecular weight of Coenzyme A, S-(hydrogen heptanedioate)?
The molecular weight of Coenzyme A, S-(hydrogen heptanedioate) is 909.18 g/mol.
Where can I buy Coenzyme A, S-(hydrogen heptanedioate)?
You can request a quote for Coenzyme A, S-(hydrogen heptanedioate) 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-(hydrogen heptanedioate)?
Yes, KEHONG BIO provides custom synthesis services for Coenzyme A, S-(hydrogen heptanedioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.