CAS RN: 1033040-23-1
TPO agonist 1
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250217 | 2mg | Out of stock | Inquiry |
- Product code: starshine_CAS1033040-23-1
- Purity/Analytical Methods: >99.0%
1033040-23-1 / 2-(3,4-dimethylphenyl)-4-[[2-hydroxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]diazenyl]-5-methyl-1H-pyrazol-3-one
TPO agonist 1 | TPO-Agonist-1 | LGD-4665
Basic Information
CAS
1033040-23-1
Multi CAS
Yes
Molecular Formula
C25H22N8O2
Molecular Weight
466.500000
Exact Mass
466.186572
SMILES
CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C5=NNN=N5)C
InChI
InChI=1S/C25H22N8O2/c1-14-10-11-19(12-15(14)2)33-25(35)22(16(3)30-33)27-26-21-9-5-8-20(23(21)34)17-6-4-7-18(13-17)24-28-31-32-29-24/h4-13,30,34H,1-3H3,(H,28,29,31,32)
InChIKey
YLSNQYHZCMCURB-UHFFFAOYSA-N
Synonyms
TPO agonist 1
TPO-Agonist-1
LGD-4665
2-(3,4-dimethylphenyl)-4-[[2-hydroxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]diazenyl]-5-methyl-1H-pyrazol-3-one
SCHEMBL164331
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
28
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
131.49
TPSA
137.2
LogP / Solubility
WLOGP
5.06
MLOGP
4.48
XLogP3
5
Consensus LogP
4.85
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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