CAS RN: 195503-20-9
17-trifluoromethylphenyl trinor Prostaglandin F2α methyl ester
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.20250220 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS195503-20-9
- Purity/Analytical Methods: >99.0%
195503-20-9 / methyl 7-[3,5-dihydroxy-2-[3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoate
Basic Information
CAS
195503-20-9
Multi CAS
No
Molecular Formula
C25H33F3O5
Molecular Weight
470.500000
Exact Mass
470.228009
SMILES
COC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC(=CC=C2)C(F)(F)F)O)O)O
InChI
InChI=1S/C25H33F3O5/c1-33-24(32)10-5-3-2-4-9-20-21(23(31)16-22(20)30)14-13-19(29)12-11-17-7-6-8-18(15-17)25(26,27)28/h2,4,6-8,13-15,19-23,29-31H,3,5,9-12,16H2,1H3
InChIKey
SPNWWFJGYHYDNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
3
Molar refractivity
118.15
TPSA
86.99
LogP / Solubility
WLOGP
4.2
MLOGP
3.73
XLogP3
3.9
Consensus LogP
3.94
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61
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
Customers Also Viewed
-
-
-
-
AP20187
- CAS RN: 195514-80-8
- Product Code: starshine_CAS195514-80-8
- Purity/Analytical method: >99.0%
-
(4R,4’R)- 2,2′-(1-ethylpropylidene)bis[4,5-dihydro-4-phenyl-Oxazole
- CAS RN: 195515-48-1
- Product Code: SSC-092212
-
