Arylazido-beta-alanyl-nadp
TL;DR: Arylazido-beta-alanyl-nadp (CAS 73617-93-3) is a chemical compound with molecular formula C30H35N12O20P3 and molecular weight 976.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-[3-(4-azido-2-nitroanilino)propanoyloxy]-2-(3-carbamoylpyridin-1-ium-1-yl)oxolan-3-olate
Also Known As: Arylazido-beta-alanyl-nadp, Arylazido-beta-alanyl-nadp(+), Arylazido-beta-alanyl-NADPH, N-(3'-O-(3-(N-Azido-2-nitrophenyl)amino)propionyl)nadp, (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-[3-(4-azido-2-nitroanilino)propanoyloxy]-2-(3-carbamoylpyridin-1-ium-1-yl)oxolan-3-olate
| Molecular Formula | C30H35N12O20P3 |
|---|---|
| Molecular Weight | 976.13 g/mol |
| LogP | -0.6278 |
| Topological Polar Surface Area | 477.62 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Exact Mass | 976.1304 |
| Heavy Atoms | 65 |
| Complexity | 2650.0605 |
Chemical Identifiers
| CAS Number | 73617-93-3 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O)O)OC(=O)CCNC6=C(C=C(C=C6)N=[N+]=[N-])[N+](=O)[O-])[O-])C(=O)N |
Product Overview
Arylazido-beta-alanyl-nadp (CAS 73617-93-3), with molecular formula C30H35N12O20P3 and molecular weight 976.13 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-[3-(4-azido-2-nitroanilino)propanoyloxy]-2-(3-carbamoylpyridin-1-ium-1-yl)oxolan-3-olate.
Chemical Property Profile of Arylazido-beta-alanyl-nadp
Property Insights of Arylazido-beta-alanyl-nadp
The XLogP value of -0.6278 indicates that Arylazido-beta-alanyl-nadp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 477.62 Ų indicates high polarity, suggesting Arylazido-beta-alanyl-nadp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arylazido-beta-alanyl-nadp has 8 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 Arylazido-beta-alanyl-nadp?
The CAS number of Arylazido-beta-alanyl-nadp is 73617-93-3.
What is the molecular formula of Arylazido-beta-alanyl-nadp?
The molecular formula of Arylazido-beta-alanyl-nadp is C30H35N12O20P3.
What is the molecular weight of Arylazido-beta-alanyl-nadp?
The molecular weight of Arylazido-beta-alanyl-nadp is 976.13 g/mol.
Where can I buy Arylazido-beta-alanyl-nadp?
You can request a quote for Arylazido-beta-alanyl-nadp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arylazido-beta-alanyl-nadp?
Yes, KEHONG BIO provides custom synthesis services for Arylazido-beta-alanyl-nadp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.