![2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid structure](/static/products/401/401608-13-7.png)
2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid
TL;DR: 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid (CAS 401608-13-7) is a chemical compound with molecular formula C11H7ClN4O5 and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
Also Known As: 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid, (E)-2-chloro-5-(2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl)benzoic acid, 2-chloro-5-[(2E)-2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]benzoic acid, 5-{[(2,6-dihydroxy-4-oxopyrimidin-5-ylidene)azamethyl]amino}-2-chlorobenzoic a cid, 2-chloro-5-[(2E)-2-(2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)hydrazinyl]benzoic acid
| Molecular Formula | C11H7ClN4O5 |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 1.5358 |
| Topological Polar Surface Area | 147.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0105 |
| Heavy Atoms | 21 |
| Complexity | 854.4226 |
Chemical Identifiers
| CAS Number | 401608-13-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=NC2=C(NC(=O)NC2=O)O)C(=O)O)Cl |
Product Overview
2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid (CAS 401608-13-7), with molecular formula C11H7ClN4O5 and molecular weight 310.01 g/mol. IUPAC: 2-chloro-5-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid.
Chemical Property Profile of 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid
Property Insights of 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid
The XLogP value of 1.5358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid. The TPSA of 147.97 Ų indicates high polarity, suggesting 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid has 4 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 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
The CAS number of 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid is 401608-13-7.
What is the molecular formula of 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
The molecular formula of 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid is C11H7ClN4O5.
What is the molecular weight of 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
The molecular weight of 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid is 310.01 g/mol.
Where can I buy 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
You can request a quote for 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.