WW-781
TL;DR: WW-781 (CAS 79811-16-8) is a chemical compound with molecular formula C27H32N4O7S and molecular weight 556.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
WW-781
4-[4-[5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)penta-1,3-dienyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
| Molecular Formula | C27H32N4O7S |
|---|---|
| Molecular Weight | 556.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 556.19916 |
| Heavy Atoms | 39 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 79811-16-8 |
|---|---|
| SMILES | CCCCN1C(=O)C(=CC=CC=CC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C(=O)N(C1=O)CCCC |
| InChIKey | ZSJQWOYTDGVNSG-UHFFFAOYSA-N |
Product Overview
WW-781 (CAS 79811-16-8), with molecular formula C27H32N4O7S and molecular weight 556.20 g/mol. IUPAC: 4-[4-[5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)penta-1,3-dienyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of WW-781
Property Insights of WW-781
The XLogP value of 3.3 indicates that Chemical Compound (C27H32N4O7S) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting WW-781 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chemical Compound (C27H32N4O7S) has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chemical Compound (C27H32N4O7S)?
The CAS number of Chemical Compound (C27H32N4O7S) is 79811-16-8.
What is the molecular formula of Chemical Compound (C27H32N4O7S)?
The molecular formula of Chemical Compound (C27H32N4O7S) is C27H32N4O7S.
What is the molecular weight of Chemical Compound (C27H32N4O7S)?
The molecular weight of Chemical Compound (C27H32N4O7S) is 556.20 g/mol.
Where can I buy Chemical Compound (C27H32N4O7S)?
You can request a quote for Chemical Compound (C27H32N4O7S) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C27H32N4O7S)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C27H32N4O7S) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.