![7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile structure](/static/products/6140/61403-49-4.webp)
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
TL;DR: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS 61403-49-4) is a chemical compound with molecular formula C19H17N5O6Se and molecular weight 491.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Also Known As: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-{[(4-Nitrophenyl)methyl]selanyl}-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
| Molecular Formula | C19H17N5O6Se |
|---|---|
| Molecular Weight | 491.03 g/mol |
| LogP | -0.64762 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.03442 |
| Heavy Atoms | 31 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 61403-49-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C[Se]C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C#N)[N+](=O)[O-] |
| InChIKey | XVRFNXZGRPAATC-UHFFFAOYSA-N |
Product Overview
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS 61403-49-4), with molecular formula C19H17N5O6Se and molecular weight 491.03 g/mol. IUPAC: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
Chemical Property Profile of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Property Insights of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
The XLogP value of -0.64762 indicates that 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile has 3 hydrogen bond donor(s) and 9 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 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The CAS number of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile is 61403-49-4.
What is the molecular formula of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The molecular formula of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile is C19H17N5O6Se.
What is the molecular weight of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The molecular weight of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile is 491.03 g/mol.
Where can I buy 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
You can request a quote for 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-nitrophenyl)methylselanyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.