CAS RN: 1185303-23-4
2-(Fmoc-amino)benzeneacetic 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.20260623 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185303-23-4
- Purity/Analytical Methods: >99.0%
1185303-23-4 / 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
Fmoc-(2-aminophenyl)acetic acid | Fmoc-2-aminophenylacetic acid | 2-(Fmoc-amino)benzeneacetic acid
Basic Information
CAS
1185303-23-4
Multi CAS
No
Molecular Formula
C23H19NO4
Molecular Weight
373.400000
Exact Mass
373.131408
SMILES
C1=CC=C(C(=C1)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H19NO4/c25-22(26)13-15-7-1-6-12-21(15)24-23(27)28-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20H,13-14H2,(H,24,27)(H,25,26)
InChIKey
LFLJMIMQXJBATH-UHFFFAOYSA-N
Synonyms
Fmoc-(2-aminophenyl)acetic acid
Fmoc-2-aminophenylacetic acid
2-(Fmoc-amino)benzeneacetic acid
MFCD09750483
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.47
TPSA
75.63
LogP / Solubility
WLOGP
4.67
MLOGP
4.13
XLogP3
4.1
Consensus LogP
4.3
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.57
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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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