CAS RN: 1005549-94-9
PF-4217329
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260308 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1005549-94-9
- Purity/Analytical Methods: >99.0%
1005549-94-9 / propan-2-yl 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetate
TAPRENEPAG ISOPROPYL | Taprenepag isopropyl [USAN] | UNII-81LDP7XIYG
Basic Information
CAS
1005549-94-9
Multi CAS
Yes
Molecular Formula
C27H28N4O5S
Molecular Weight
520.600000
Exact Mass
520.178041
SMILES
CC(C)OC(=O)COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4
InChI
InChI=1S/C27H28N4O5S/c1-21(2)36-27(32)20-35-25-7-3-6-23(16-25)19-30(37(33,34)26-8-4-13-28-17-26)18-22-9-11-24(12-10-22)31-15-5-14-29-31/h3-17,21H,18-20H2,1-2H3
InChIKey
NVPXUFQLKWKBHK-UHFFFAOYSA-N
Synonyms
TAPRENEPAG ISOPROPYL
Taprenepag isopropyl [USAN]
UNII-81LDP7XIYG
81LDP7XIYG
isopropyl 2-(3-((N-(4-(1H-pyrazol-1-yl)benzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetate
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
23
Fraction Csp3
0.22
Rotatable bonds
11
H-bond acceptors
8
Molar refractivity
137.4
TPSA
103.62
LogP / Solubility
WLOGP
3.99
MLOGP
3.55
XLogP3
3.6
Consensus LogP
3.71
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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