![CAS 934752-38-2 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}[(1S)-1-phenylethyl]amino)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934752-38-2.gif)
CAS RN: 934752-38-2
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}[(1S)-1-phenylethyl]amino)acetic 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.20250418 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS934752-38-2
- Purity/Analytical Methods: >99.0%
934752-38-2 / 2-[9H-fluoren-9-ylmethoxycarbonyl-[(1S)-1-phenylethyl]amino]acetic acid
Basic Information
CAS
934752-38-2
Multi CAS
Yes
Molecular Formula
C25H23NO4
Molecular Weight
401.500000
Exact Mass
401.162708
InChI
InChI=1S/C25H23NO4/c1-17(18-9-3-2-4-10-18)26(15-24(27)28)25(29)30-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23H,15-16H2,1H3,(H,27,28)/t17-/m0/s1
InChIKey
GJBVMGSZBTVUCZ-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
114.27
TPSA
66.84
LogP / Solubility
WLOGP
5.08
MLOGP
4.5
XLogP3
4.7
Consensus LogP
4.76
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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