Methylenecyclopropyl acetyl-coa
TL;DR: Methylenecyclopropyl acetyl-coa (CAS 635-86-9) is a chemical compound with molecular formula C27H42N7O17P3S and molecular weight 861.16 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)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-(2-methylidenecyclopropyl)ethanethioate
Also Known As: Methylenecyclopropyl acetyl-coa, Methylenecyclopropyl acetyl-coenzyme A, 2-Methyl-pelargonsaeure-methylester, Coenzyme A, S-(2-methylenecyclopropaneacetate), (+/-)-(2-methylenecyclopropyl)acetyl-CoA
| Molecular Formula | C27H42N7O17P3S |
|---|---|
| Molecular Weight | 861.16 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Exact Mass | 861.1571 |
| Heavy Atoms | 55 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 635-86-9 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4CC4=C)O |
| InChIKey | LRZLYYOBCYKACZ-YVOTYHKYSA-N |
Product Overview
Methylenecyclopropyl acetyl-coa (CAS 635-86-9), with molecular formula C27H42N7O17P3S and molecular weight 861.16 g/mol. IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-(2-methylidenecyclopropyl)ethanethioate.
Chemical Property Profile of Methylenecyclopropyl acetyl-coa
Property Insights of Methylenecyclopropyl acetyl-coa
The XLogP value of -5.2 indicates that Methylenecyclopropyl acetyl-coa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Methylenecyclopropyl acetyl-coa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylenecyclopropyl acetyl-coa 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 Methylenecyclopropyl acetyl-coa?
The CAS number of Methylenecyclopropyl acetyl-coa is 635-86-9.
What is the molecular formula of Methylenecyclopropyl acetyl-coa?
The molecular formula of Methylenecyclopropyl acetyl-coa is C27H42N7O17P3S.
What is the molecular weight of Methylenecyclopropyl acetyl-coa?
The molecular weight of Methylenecyclopropyl acetyl-coa is 861.16 g/mol.
Where can I buy Methylenecyclopropyl acetyl-coa?
You can request a quote for Methylenecyclopropyl acetyl-coa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylenecyclopropyl acetyl-coa?
Yes, KEHONG BIO provides custom synthesis services for Methylenecyclopropyl acetyl-coa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.