CAS RN: 54276-17-4
Travoprost Acid
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.20250930 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54276-17-4
- Purity/Analytical Methods: >99.0%
54276-17-4 / 7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
Basic Information
CAS
54276-17-4
Multi CAS
Yes
Molecular Formula
C23F3H29O6
Molecular Weight
458.500000
Exact Mass
458.191623
InChI
InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
InChIKey
WWSWYXNVCBLWNZ-QIZQQNKQSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
4
Molar refractivity
110.94
TPSA
107.22
LogP / Solubility
WLOGP
3.56
MLOGP
3.16
XLogP3
2.9
Consensus LogP
3.21
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 54283-65-7 Bis[(Z)-3-(2,4-dimethoxyphenyl)-2-butenoic acid]magnesium salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54283-65-7.gif)