CAS RN: 196808-79-4
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-methyl-1H-indol-3-yl)propanoic 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.20260211 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-092880
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 | Beijing | Inquiry |
196808-79-4 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methyl-1H-indol-3-yl)propanoic acid
Basic Information
CAS
196808-79-4
Multi CAS
No
Molecular Formula
C27H24N2O4
Molecular Weight
440.500000
Exact Mass
440.173607
SMILES
CC1=C(C2=CC=CC=C2N1)C[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24N2O4/c1-16-22(21-12-6-7-13-24(21)28-16)14-25(26(30)31)29-27(32)33-15-23-19-10-4-2-8-17(19)18-9-3-5-11-20(18)23/h2-13,23,25,28H,14-15H2,1H3,(H,29,32)(H,30,31)/t25-/m1/s1
InChIKey
MMPTVKMTZAMBFI-RUZDIDTESA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
126.37
TPSA
91.42
LogP / Solubility
WLOGP
5.01
MLOGP
4.44
XLogP3
5.2
Consensus LogP
4.88
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 177966-61-9 (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(benzo[b]thiophen-3-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/177966-61-9.png)
