![CAS 160036-44-2 (2S)-2-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]acetamido}-3-phenylpropanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160036-44-2.gif)
CAS RN: 160036-44-2
(2S)-2-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]acetamido}-3-phenylpropanoic 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.20260202 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-068023
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: 1g, 5g, 10g, 25g, 0.25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 3 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 3 In Stock | Shanghai | Inquiry |
| 100g | -- | 2 In Stock | Beijing | Inquiry |
| 500g | -- | 0 Out of Stock | Beijing | Inquiry |
| 500g | >98% | 0 Out of Stock | Beijing | Inquiry |
160036-44-2 / (2S)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
Basic Information
CAS
160036-44-2
Multi CAS
No
Molecular Formula
C28H27N3O6
Molecular Weight
501.500000
Exact Mass
501.189986
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H27N3O6/c32-25(29-16-26(33)31-24(27(34)35)14-18-8-2-1-3-9-18)15-30-28(36)37-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,29,32)(H,30,36)(H,31,33)(H,34,35)/t24-/m0/s1
InChIKey
UFGUUZVZUIXKQZ-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
4
Molar refractivity
135.79
TPSA
133.83
LogP / Solubility
WLOGP
2.45
MLOGP
2.2
XLogP3
3.3
Consensus LogP
2.65
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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