WV88DU3Mux
TL;DR: WV88DU3Mux (CAS 192756-07-3) is a chemical compound with molecular formula C24H25N5O7 and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(4S,7S)-7-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid
Also Known As: (3S)-3-((((1S,9S)-Octahydro-9-((1-isoquinolinylcarbonyl)amino)-6,10-dioxo-6H-pyridazino(1,2-a)(1,2)diazepin-1-yl)carbonyl)amino)-4-oxobutanoic acid, Butanoic acid, 3-((((1S,9S)-octahydro-9-((1-isoquinolinylcarbonyl)amino)-6,10-dioxo-6H-pyridazino(1,2-a)(1,2)diazepin-1-yl)carbonyl)amino)-4-oxo-, (3S)-, (3S)-3-[[(4S,7S)-7-(Isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid, (S)-3-((1S,9S)-9-(Isoquinoline-1-carboxamido)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxamido)-4-oxobutanoic acid, (S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10-dioxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxamido)-4-oxobutanoic acid
| Molecular Formula | C24H25N5O7 |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 0.02 |
| Topological Polar Surface Area | 166.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.17538 |
| Heavy Atoms | 36 |
| Complexity | 1227.0619 |
Chemical Identifiers
| CAS Number | 192756-07-3 |
|---|---|
| SMILES | C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)NC(=O)C3=NC=CC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)O)C=O |
Product Overview
WV88DU3Mux (CAS 192756-07-3), with molecular formula C24H25N5O7 and molecular weight 495.18 g/mol. IUPAC: (3S)-3-[[(4S,7S)-7-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of WV88DU3Mux
Property Insights of WV88DU3Mux
The XLogP value of 0.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WV88DU3Mux. The TPSA of 166.08 Ų indicates high polarity, suggesting WV88DU3Mux may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WV88DU3Mux has 3 hydrogen bond donor(s) and 7 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 WV88DU3Mux?
The CAS number of WV88DU3Mux is 192756-07-3.
What is the molecular formula of WV88DU3Mux?
The molecular formula of WV88DU3Mux is C24H25N5O7.
What is the molecular weight of WV88DU3Mux?
The molecular weight of WV88DU3Mux is 495.18 g/mol.
Where can I buy WV88DU3Mux?
You can request a quote for WV88DU3Mux directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WV88DU3Mux?
Yes, KEHONG BIO provides custom synthesis services for WV88DU3Mux and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.