3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate
TL;DR: 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate (CAS 101670-76-2) is a chemical compound with molecular formula C12H10CaN4O5 and molecular weight 330.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 4-[[5-[(3-oxido-4,5-dihydro-1,2-oxazol-4-yl)iminomethyl]furan-2-yl]methylideneamino]-4,5-dihydro-1,2-oxazol-3-olate
Also Known As: 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate, 2',5'-Bis-D-(3-oxo-4-isoxazolidinyliminomethyl)furan, calcium salt, tetrahydrate, 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, calcium 4-[[5-[(3-oxido-4,5-dihydro-1,2-oxazol-4-yl)iminomethyl]furan-2-yl]methylideneamino]-4,5-dihydro-1,2-oxazol-3-olate, calcium;4-[[5-[(3-oxido-4,5-dihydro-1,2-oxazol-4-yl)iminomethyl]furan-2-yl]methylideneamino]-4,5-dihydro-1,2-oxazol-3-olate
| Molecular Formula | C12H10CaN4O5 |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | -2.12 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0277 |
| Heavy Atoms | 22 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 101670-76-2 |
|---|---|
| SMILES | C1C(C(=NO1)[O-])N=CC2=CC=C(O2)C=NC3CON=C3[O-].[Ca+2] |
| InChIKey | UDMLCPWBWKPKSO-UHFFFAOYSA-L |
Product Overview
3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate (CAS 101670-76-2), with molecular formula C12H10CaN4O5 and molecular weight 330.03 g/mol. IUPAC: calcium 4-[[5-[(3-oxido-4,5-dihydro-1,2-oxazol-4-yl)iminomethyl]furan-2-yl]methylideneamino]-4,5-dihydro-1,2-oxazol-3-olate.
Chemical Property Profile of 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate
Property Insights of 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate
The XLogP value of -2.12 indicates that 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate. Following Lipinski's Rule of Five, 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate has 0 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 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate?
The CAS number of 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate is 101670-76-2.
What is the molecular formula of 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate?
The molecular formula of 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate is C12H10CaN4O5.
What is the molecular weight of 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate?
The molecular weight of 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate is 330.03 g/mol.
Where can I buy 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate?
You can request a quote for 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoxazolidinone, 4,4'-(2,5-furylenebis(methyleneimino))-, calcium salt, tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.