Urovalidin
TL;DR: Urovalidin (CAS 78891-95-9) is a chemical compound with molecular formula C25H25N9O4 and molecular weight 515.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(3-oxo-1,2-oxazolidin-4-yl)iminomethyl]phenyl]methylideneamino]-1,2-oxazolidin-3-one;3-phenyldiazenylpyridine-2,6-diamine
Also Known As: Urovalidin, 4-[[4-[(3-oxo-1,2-oxazolidin-4-yl)iminomethyl]phenyl]methylideneamino]-1,2-oxazolidin-3-one;3-phenyldiazenylpyridine-2,6-diamine, 3-Isoxazolidinone, 4,4'-(1,4-phenylenebis(methylidynenitrilo))bis-, mixt. with 3-(phenylazo)-2,6-pyridinediamine (1:1), 4-[[4-[(3-oxo-1,2-oxazolidin-4-yl)iminomethyl]phenyl]methylideneamino]-1,2-oxazolidin-3-one; 3-phenyldiazenylpyridine-2,6-diamine
| Molecular Formula | C25H25N9O4 |
|---|---|
| Molecular Weight | 515.20 g/mol |
| LogP | 2.0458 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.20294 |
| Heavy Atoms | 38 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 78891-95-9 |
|---|---|
| SMILES | C1C(C(=O)NO1)N=CC2=CC=C(C=C2)C=NC3CONC3=O.C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N |
| InChIKey | LIFZENVRAZTZCX-UHFFFAOYSA-N |
Product Overview
Urovalidin (CAS 78891-95-9), with molecular formula C25H25N9O4 and molecular weight 515.20 g/mol. IUPAC: 4-[[4-[(3-oxo-1,2-oxazolidin-4-yl)iminomethyl]phenyl]methylideneamino]-1,2-oxazolidin-3-one;3-phenyldiazenylpyridine-2,6-diamine.
Chemical Property Profile of Urovalidin
Property Insights of Urovalidin
The XLogP value of 2.0458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urovalidin. The TPSA of 191.0 Ų indicates high polarity, suggesting Urovalidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urovalidin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urovalidin?
The CAS number of Urovalidin is 78891-95-9.
What is the molecular formula of Urovalidin?
The molecular formula of Urovalidin is C25H25N9O4.
What is the molecular weight of Urovalidin?
The molecular weight of Urovalidin is 515.20 g/mol.
Where can I buy Urovalidin?
You can request a quote for Urovalidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urovalidin?
Yes, KEHONG BIO provides custom synthesis services for Urovalidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.