![CAS 2446043-05-4 Benzenebutanoic acid, 4-(1,1-dimethylethoxy)-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2446043-05-4.gif)
CAS RN: 2446043-05-4
Benzenebutanoic acid, 4-(1,1-dimethylethoxy)-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
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.20250416 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-119001
Verified Factory Data
Supply Overview & Packaging Options
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: >97%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Shanghai | Inquiry |
2446043-05-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
Basic Information
CAS
2446043-05-4
Multi CAS
No
Molecular Formula
C29H31NO5
Molecular Weight
473.600000
Exact Mass
473.220223
SMILES
CC(C)(C)OC1=CC=C(C=C1)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C29H31NO5/c1-29(2,3)35-20-15-12-19(13-16-20)14-17-26(27(31)32)30-28(33)34-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-13,15-16,25-26H,14,17-18H2,1-3H3,(H,30,33)(H,31,32)/t26-/m1/s1
InChIKey
FKUBPXDMQFEPGP-AREMUKBSSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
134.77
TPSA
84.86
LogP / Solubility
WLOGP
5.79
MLOGP
5.13
XLogP3
6
Consensus LogP
5.64
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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