CID 9576551
TL;DR: CID 9576551 (CAS 64134-85-6) is a chemical compound with molecular formula C16H13N5O7S and molecular weight 419.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: 4-[4,5-Dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid, 4-[3-methyl-4-[(2Z)-2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
| Molecular Formula | C16H13N5O7S |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.05356 |
| Heavy Atoms | 29 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 64134-85-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | WLKCLBNDZLXNPP-UHFFFAOYSA-N |
Product Overview
CID 9576551 (CAS 64134-85-6), with molecular formula C16H13N5O7S and molecular weight 419.05 g/mol. IUPAC: 4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of CID 9576551
Property Insights of CID 9576551
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 9576551. The TPSA of 186.0 Ų indicates high polarity, suggesting CID 9576551 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 9576551 has 2 hydrogen bond donor(s) and 10 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 CID 9576551?
The CAS number of CID 9576551 is 64134-85-6.
What is the molecular formula of CID 9576551?
The molecular formula of CID 9576551 is C16H13N5O7S.
What is the molecular weight of CID 9576551?
The molecular weight of CID 9576551 is 419.05 g/mol.
Where can I buy CID 9576551?
You can request a quote for CID 9576551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 9576551?
Yes, KEHONG BIO provides custom synthesis services for CID 9576551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.