CAS RN: 98672-91-4
SQ 29,548 (POTENT AND SPECIFIC THROMBOXA NE A2 RECEPT
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.20250509 | 1mg / 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS98672-91-4
- Purity/Analytical Methods: >99.0%
98672-91-4 / 7-[3-[[2-(phenylcarbamoyl)hydrazinyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Basic Information
CAS
98672-91-4
Multi CAS
Yes
Molecular Formula
C21H29N3O4
Molecular Weight
387.500000
Exact Mass
387.215806
InChI
InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19-/m1/s1
InChIKey
RJNDVCNWVBWHLY-YVUOLYODSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
4
Molar refractivity
106.72
TPSA
99.69
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
0.3
Consensus LogP
2.18
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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