CAS RN: 511272-35-8
FMOC-(R)-3-AMINO-3-(3-HYDROXY-PHENYL)-PROPIONIC ACID
- Product code: SSC-157930
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
511272-35-8 / (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-hydroxyphenyl)propanoic acid
Basic Information
CAS
511272-35-8
Multi CAS
Yes
Molecular Formula
C24H21NO5
Molecular Weight
403.400000
Exact Mass
403.141973
InChI
InChI=1S/C24H21NO5/c26-16-7-5-6-15(12-16)22(13-23(27)28)25-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22,26H,13-14H2,(H,25,29)(H,27,28)/t22-/m1/s1
InChIKey
LZJDAHKCUYUTCN-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
111.31
TPSA
95.86
LogP / Solubility
WLOGP
4.45
MLOGP
3.94
XLogP3
4.3
Consensus LogP
4.23
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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