CAS RN: 959576-18-2
(2S,4R)-FMOC-4-(4-FLUOROBENZYL)-PYRROLIDINE-2-CARBOXYLIC 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.20251028 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS959576-18-2
- Purity/Analytical Methods: >99.0%
959576-18-2 / (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
959576-18-2
Multi CAS
Yes
Molecular Formula
C27FH24NO4
Molecular Weight
445.500000
Exact Mass
445.168936
InChI
InChI=1S/C27H24FNO4/c28-19-11-9-17(10-12-19)13-18-14-25(26(30)31)29(15-18)27(32)33-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,18,24-25H,13-16H2,(H,30,31)/t18-,25+/m1/s1
InChIKey
VEXHSSPGYVPINR-CJAUYULYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
121.41
TPSA
66.84
LogP / Solubility
WLOGP
5.09
MLOGP
4.51
XLogP3
5.3
Consensus LogP
4.97
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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