(Carboxymethyloximino)spiperone, Hemihydrate
TL;DR: (Carboxymethyloximino)spiperone, Hemihydrate (CAS 355012-90-7) is a chemical compound with molecular formula C25H29FN4O4 and molecular weight 468.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(4-fluorophenyl)-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid
Also Known As: (Carboxymethyloximino)spiperone, Hemihydrate, 2-[[1-(4-Fluorophenyl)-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid, 2-[[1-(4-fluorophenyl)-4-(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid
| Molecular Formula | C25H29FN4O4 |
|---|---|
| Molecular Weight | 468.22 g/mol |
| LogP | 2.8397 |
| Topological Polar Surface Area | 94.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.2173 |
| Heavy Atoms | 34 |
| Complexity | 1020.971 |
Chemical Identifiers
| CAS Number | 355012-90-7 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=NOCC(=O)O)C4=CC=C(C=C4)F |
Product Overview
(Carboxymethyloximino)spiperone, Hemihydrate (CAS 355012-90-7), with molecular formula C25H29FN4O4 and molecular weight 468.22 g/mol. IUPAC: 2-[[1-(4-fluorophenyl)-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid.
Chemical Property Profile of (Carboxymethyloximino)spiperone, Hemihydrate
Property Insights of (Carboxymethyloximino)spiperone, Hemihydrate
The XLogP value of 2.8397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Carboxymethyloximino)spiperone, Hemihydrate. The TPSA of 94.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (Carboxymethyloximino)spiperone, Hemihydrate. Following Lipinski's Rule of Five, (Carboxymethyloximino)spiperone, Hemihydrate has 2 hydrogen bond donor(s) and 6 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 (Carboxymethyloximino)spiperone, Hemihydrate?
The CAS number of (Carboxymethyloximino)spiperone, Hemihydrate is 355012-90-7.
What is the molecular formula of (Carboxymethyloximino)spiperone, Hemihydrate?
The molecular formula of (Carboxymethyloximino)spiperone, Hemihydrate is C25H29FN4O4.
What is the molecular weight of (Carboxymethyloximino)spiperone, Hemihydrate?
The molecular weight of (Carboxymethyloximino)spiperone, Hemihydrate is 468.22 g/mol.
Where can I buy (Carboxymethyloximino)spiperone, Hemihydrate?
You can request a quote for (Carboxymethyloximino)spiperone, Hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Carboxymethyloximino)spiperone, Hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for (Carboxymethyloximino)spiperone, Hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.