NBMPR
TL;DR: NBMPR (CAS 38048-32-7) is a chemical compound with molecular formula C17H17N5O6S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
Also Known As: NBMPR, S-(4-Nitrobenzyl)-6-thioinosine, Nitrobenzylthioinosine, 4-Nitrobenzylthioinosine, 6-(p-Nitrobenzylthio)inosine
| Molecular Formula | C17H17N5O6S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.08997 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 38048-32-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-] |
| InChIKey | DYCJFJRCWPVDHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NBMPR (CAS 38048-32-7), with molecular formula C17H17N5O6S and molecular weight 419.09 g/mol. IUPAC: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of NBMPR
Property Insights of NBMPR
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NBMPR. The TPSA of 185.0 Ų indicates high polarity, suggesting NBMPR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NBMPR has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NBMPR?
The CAS number of NBMPR is 38048-32-7.
What is the molecular formula of NBMPR?
The molecular formula of NBMPR is C17H17N5O6S.
What is the molecular weight of NBMPR?
The molecular weight of NBMPR is 419.09 g/mol.
Where can I buy NBMPR?
You can request a quote for NBMPR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NBMPR?
Yes, KEHONG BIO provides custom synthesis services for NBMPR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.