NCI60_001395
TL;DR: NCI60_001395 (CAS 61552-41-8) is a chemical compound with molecular formula C14H16N8O5S and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Also Known As: NCI60_001395, 5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol, 9-(2-Deoxypentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3,9-dihydro-2H-purin-2-imine, 9H-Purin-2-amine, {9-(2-deoxy--D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1} H-imidazol-5-yl)thio\]-, 9H-Purin-2-amine, 9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
| Molecular Formula | C14H16N8O5S |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.09644 |
| Heavy Atoms | 28 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 61552-41-8 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4CC(C(O4)CO)O)N)[N+](=O)[O-] |
| InChIKey | VQKNUOXJMSCJLJ-UHFFFAOYSA-N |
Product Overview
NCI60_001395 (CAS 61552-41-8), with molecular formula C14H16N8O5S and molecular weight 408.10 g/mol. IUPAC: 5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of NCI60_001395
Property Insights of NCI60_001395
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_001395. The TPSA of 208.0 Ų indicates high polarity, suggesting NCI60_001395 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_001395 has 3 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 NCI60_001395?
The CAS number of NCI60_001395 is 61552-41-8.
What is the molecular formula of NCI60_001395?
The molecular formula of NCI60_001395 is C14H16N8O5S.
What is the molecular weight of NCI60_001395?
The molecular weight of NCI60_001395 is 408.10 g/mol.
Where can I buy NCI60_001395?
You can request a quote for NCI60_001395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_001395?
Yes, KEHONG BIO provides custom synthesis services for NCI60_001395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.