NCI60_034813
TL;DR: NCI60_034813 (CAS 301196-86-1) is a chemical compound with molecular formula C9H17N3O7P2 and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid
Also Known As: NCI60_034813, [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid, {3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxypropane-1,1-diyl}bis(phosphonic acid), [3-(4,6-Dimethyl-pyrimidin-2-ylamino)-1-hydroxy-1-phosphono-propyl]-phosphonic acid, [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid
| Molecular Formula | C9H17N3O7P2 |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.05417 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 301196-86-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NCCC(O)(P(=O)(O)O)P(=O)(O)O)C |
| InChIKey | QLPMIRMKWMMPBF-UHFFFAOYSA-N |
Product Overview
NCI60_034813 (CAS 301196-86-1), with molecular formula C9H17N3O7P2 and molecular weight 341.05 g/mol. IUPAC: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid.
Chemical Property Profile of NCI60_034813
Property Insights of NCI60_034813
The XLogP value of -2.0 indicates that NCI60_034813 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting NCI60_034813 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_034813 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_034813?
The CAS number of NCI60_034813 is 301196-86-1.
What is the molecular formula of NCI60_034813?
The molecular formula of NCI60_034813 is C9H17N3O7P2.
What is the molecular weight of NCI60_034813?
The molecular weight of NCI60_034813 is 341.05 g/mol.
Where can I buy NCI60_034813?
You can request a quote for NCI60_034813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_034813?
Yes, KEHONG BIO provides custom synthesis services for NCI60_034813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.