NCI60_016789
TL;DR: NCI60_016789 (CAS 141039-01-2) is a chemical compound with molecular formula C12H19N3O4 and molecular weight 269.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: NCI60_016789, Thymidine, 3'-deoxy-3'-(dimethylamino)-, Pyrimidin-2,4-dione, 1,2,3,4-tetrahydro-5-methyl-1-[[2-hydroxymethyl-3-dimethylamino]tetrahydrofur-5-yl, 1-[4-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-[4-(dimethylamino)-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C12H19N3O4 |
|---|---|
| Molecular Weight | 269.14 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.13754 |
| Heavy Atoms | 19 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 141039-01-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N(C)C |
| InChIKey | MOGRRYAKLPVBAF-UHFFFAOYSA-N |
Product Overview
NCI60_016789 (CAS 141039-01-2), with molecular formula C12H19N3O4 and molecular weight 269.14 g/mol. IUPAC: 1-[4-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of NCI60_016789
Property Insights of NCI60_016789
The XLogP value of -0.6 indicates that NCI60_016789 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_016789. Following Lipinski's Rule of Five, NCI60_016789 has 2 hydrogen bond donor(s) and 5 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 NCI60_016789?
The CAS number of NCI60_016789 is 141039-01-2.
What is the molecular formula of NCI60_016789?
The molecular formula of NCI60_016789 is C12H19N3O4.
What is the molecular weight of NCI60_016789?
The molecular weight of NCI60_016789 is 269.14 g/mol.
Where can I buy NCI60_016789?
You can request a quote for NCI60_016789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_016789?
Yes, KEHONG BIO provides custom synthesis services for NCI60_016789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.