![4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine structure](/static/products/6136/6136-89-6.webp)
4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine
TL;DR: 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine (CAS 6136-89-6) is a chemical compound with molecular formula C18H18N4O6Se and molecular weight 466.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
Also Known As: 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine, 2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
| Molecular Formula | C18H18N4O6Se |
|---|---|
| Molecular Weight | 466.04 g/mol |
| LogP | -0.5193 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.03915 |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 6136-89-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C[Se]C2=NC=NC3=C2C=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-] |
| InChIKey | MBFONUHPPJOBGR-UHFFFAOYSA-N |
Product Overview
4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine (CAS 6136-89-6), with molecular formula C18H18N4O6Se and molecular weight 466.04 g/mol. IUPAC: 2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol.
Chemical Property Profile of 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine
Property Insights of 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine
The XLogP value of -0.5193 indicates that 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine has 3 hydrogen bond donor(s) and 8 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 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine?
The CAS number of 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine is 6136-89-6.
What is the molecular formula of 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine?
The molecular formula of 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine is C18H18N4O6Se.
What is the molecular weight of 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine?
The molecular weight of 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine is 466.04 g/mol.
Where can I buy 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine?
You can request a quote for 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-nitrobenzyl)selanyl]-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.