CAS RN: 1185296-79-0
FMOC-5-ACETAMIDO-2-AMINOBENZOIC 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.20260618 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1185296-79-0
- Purity/Analytical Methods: >99.0%
1185296-79-0 / 5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
Fmoc-5-acetamido-2-aminobenzoic acid | 5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid | 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-acetamidobenzoic acid
Basic Information
CAS
1185296-79-0
Multi CAS
Yes
Molecular Formula
C24H20N2O5
Molecular Weight
416.400000
Exact Mass
416.137222
SMILES
CC(=O)NC1=CC(=C(C=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H20N2O5/c1-14(27)25-15-10-11-22(20(12-15)23(28)29)26-24(30)31-13-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13H2,1H3,(H,25,27)(H,26,30)(H,28,29)
InChIKey
FVLXPSCVGYITQG-UHFFFAOYSA-N
Synonyms
Fmoc-5-acetamido-2-aminobenzoic acid
5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-acetamidobenzoic acid
5-acetamido-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)benzoic acid
MFCD02682144
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
116.4
TPSA
104.73
LogP / Solubility
WLOGP
4.7
MLOGP
4.17
XLogP3
3.9
Consensus LogP
4.26
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92
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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