![benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate structure](/static/products/2644/26449-47-8.webp)
benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
TL;DR: benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CAS 26449-47-8) is a chemical compound with molecular formula C30H34N8O7 and molecular weight 618.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate, benzyl{1-[(1-{[5-(6-amino-9h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]amino}-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}carbamate(non-preferred name), 9-[3-({2-[(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxypropylidene}amino)-3-deoxypentofuranosyl]-9H-purin-6-amine
| Molecular Formula | C30H34N8O7 |
|---|---|
| Molecular Weight | 618.26 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 618.25507 |
| Heavy Atoms | 45 |
| Complexity | 997.0 |
Chemical Identifiers
| CAS Number | 26449-47-8 |
|---|---|
| SMILES | CC(C(=O)NC1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5 |
| InChIKey | NZSGYNGLEVOILQ-UHFFFAOYSA-N |
Product Overview
benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CAS 26449-47-8), with molecular formula C30H34N8O7 and molecular weight 618.26 g/mol. IUPAC: benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Property Insights of benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate. The TPSA of 216.0 Ų indicates high polarity, suggesting benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The CAS number of benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is 26449-47-8.
What is the molecular formula of benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The molecular formula of benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is C30H34N8O7.
What is the molecular weight of benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The molecular weight of benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is 618.26 g/mol.
Where can I buy benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
You can request a quote for benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-[1-[[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.