CAS RN: 372144-16-6
3-N-FMOC-AMINO-3-(3-T-BUTOXYPHENYL)PROPIONIC ACID
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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 372144-16-6
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
≥95% |
5
In Stock
|
Shanghai |
Inquiry |
| 0.25g |
≥95% |
5
In Stock
|
Shenzhen |
Inquiry |
| 1g |
≥95% |
1
In Stock
|
Beijing |
Inquiry |
| 5g |
≥95% |
1
In Stock
|
Shanghai |
Inquiry |
372144-16-6 / 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
Standard CAS: 372144-16-6
Multi CAS: Yes
Basic Information
CAS
372144-16-6
Multi CAS
Yes
Molecular Formula
C28H29NO5
Molecular Weight
459.500000
Exact Mass
459.204573
InChI
InChI=1S/C28H29NO5/c1-28(2,3)34-19-10-8-9-18(15-19)25(16-26(30)31)29-27(32)33-17-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)
InChIKey
BWKICYYOJGUIIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
130.02
TPSA
84.86
LogP / Solubility
WLOGP
5.92
MLOGP
5.24
XLogP3
5
Consensus LogP
5.39
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-7.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5