Phenylalanyl adenylate
TL;DR: Phenylalanyl adenylate (CAS 40641-03-0) is a chemical compound with molecular formula C19H23N6O8P and molecular weight 494.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-phenylpropanoate
Also Known As: Phenylalanyl adenylate, Phe-pA, phenylalanyladenylate, Phe-O-AMP, ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]
| Molecular Formula | C19H23N6O8P |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.1315 |
| Heavy Atoms | 34 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 40641-03-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N |
| InChIKey | ZFNOOEXYTZPIQS-URQYDQELSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylalanyl adenylate (CAS 40641-03-0), with molecular formula C19H23N6O8P and molecular weight 494.13 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-phenylpropanoate.
Chemical Property Profile of Phenylalanyl adenylate
Property Insights of Phenylalanyl adenylate
The XLogP value of -4.1 indicates that Phenylalanyl adenylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting Phenylalanyl adenylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenylalanyl adenylate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenylalanyl adenylate?
The CAS number of Phenylalanyl adenylate is 40641-03-0.
What is the molecular formula of Phenylalanyl adenylate?
The molecular formula of Phenylalanyl adenylate is C19H23N6O8P.
What is the molecular weight of Phenylalanyl adenylate?
The molecular weight of Phenylalanyl adenylate is 494.13 g/mol.
Where can I buy Phenylalanyl adenylate?
You can request a quote for Phenylalanyl adenylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylalanyl adenylate?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanyl adenylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.