TL;DR: ACID YELLOW 49 (CAS 12239-15-5) is a chemical compound with molecular formula C16H13Cl2N5O3S and molecular weight 425.01163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid
Also Known As: ACID YELLOW 49, C.I. ACID YELLOW 49, acid yellow 49, AcidYellow49, c.i.acidyellow49
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H13Cl2N5O3S |
| Molecular Weight | 425.01163 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.01163 Da |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
| SMILES | CC1=NN(C(=C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)N)C3=CC=CC=C3 |
| InChIKey | QHVBDWZOQBMLLW-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that ACID YELLOW 49 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ACID YELLOW 49. Following Lipinski's Rule of Five, ACID YELLOW 49 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ACID YELLOW 49 is 12239-15-5.
The molecular formula of ACID YELLOW 49 is C16H13Cl2N5O3S.
The molecular weight of ACID YELLOW 49 is 425.01163 g/mol.
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