CAS RN: 1231709-22-0
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylbutanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250221 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-026769
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1231709-22-0 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoic acid
Basic Information
CAS
1231709-22-0
Multi CAS
No
Molecular Formula
C20H21NO4
Molecular Weight
339.400000
Exact Mass
339.147058
SMILES
CC[C@](C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-3-20(2,18(22)23)21-19(24)25-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23)/t20-/m1/s1
InChIKey
DZSLHAJXIQCMLR-HXUWFJFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.54
TPSA
75.63
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
3.8
Consensus LogP
3.64
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.11
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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