![CAS 959583-56-3 (alphaS)-alpha-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-benzothiazolepropanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/959583-56-3.gif)
CAS RN: 959583-56-3
(alphaS)-alpha-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-benzothiazolepropanoic 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.20250128 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-211693
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 | Hong Kong | Inquiry |
959583-56-3 / (2S)-3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
959583-56-3
Multi CAS
Yes
Molecular Formula
C25H20N2O4S
Molecular Weight
444.500000
Exact Mass
444.114378
InChI
InChI=1S/C25H20N2O4S/c28-24(29)21(13-23-26-20-11-5-6-12-22(20)32-23)27-25(30)31-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19,21H,13-14H2,(H,27,30)(H,28,29)/t21-/m0/s1
InChIKey
FOEQAVDISWFCSU-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
122.95
TPSA
88.52
LogP / Solubility
WLOGP
4.83
MLOGP
4.28
XLogP3
5.1
Consensus LogP
4.74
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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