C9H12N3O7P.1/2Ba
TL;DR: C9H12N3O7P.1/2Ba (CAS 74263-38-0) is a chemical compound with molecular formula C9H14BaN3O7P and molecular weight 444.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidin-2-one;barium(2+);hydride
Also Known As: C9H12N3O7P.1/2Ba, EINECS 277-793-7, Barium bis(cytidine 2',3'-phosphate), C9-H12-N3-O7-P.1/2Ba
| Molecular Formula | C9H14BaN3O7P |
|---|---|
| Molecular Weight | 444.96 g/mol |
| LogP | -1.5562 |
| Topological Polar Surface Area | 146.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.9622 |
| Heavy Atoms | 21 |
| Complexity | 649.81573 |
Chemical Identifiers
| CAS Number | 74263-38-0 |
|---|---|
| SMILES | [H-].[H-].C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O.[Ba+2] |
Product Overview
C9H12N3O7P.1/2Ba (CAS 74263-38-0), with molecular formula C9H14BaN3O7P and molecular weight 444.96 g/mol. IUPAC: 4-amino-1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidin-2-one;barium(2+);hydride.
Chemical Property Profile of C9H12N3O7P.1/2Ba
Property Insights of C9H12N3O7P.1/2Ba
The XLogP value of -1.5562 indicates that C9H12N3O7P.1/2Ba is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.13 Ų indicates high polarity, suggesting C9H12N3O7P.1/2Ba may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C9H12N3O7P.1/2Ba 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 C9H12N3O7P.1/2Ba?
The CAS number of C9H12N3O7P.1/2Ba is 74263-38-0.
What is the molecular formula of C9H12N3O7P.1/2Ba?
The molecular formula of C9H12N3O7P.1/2Ba is C9H14BaN3O7P.
What is the molecular weight of C9H12N3O7P.1/2Ba?
The molecular weight of C9H12N3O7P.1/2Ba is 444.96 g/mol.
Where can I buy C9H12N3O7P.1/2Ba?
You can request a quote for C9H12N3O7P.1/2Ba directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H12N3O7P.1/2Ba?
Yes, KEHONG BIO provides custom synthesis services for C9H12N3O7P.1/2Ba and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.