![CAS 2169956-19-6 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-hydroxypentanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2169956-19-6.png)
CAS RN: 2169956-19-6
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-hydroxypentanoic 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.20251028 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-104432
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
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
2169956-19-6 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
Basic Information
CAS
2169956-19-6
Multi CAS
No
Molecular Formula
C20H21NO5
Molecular Weight
355.400000
Exact Mass
355.141973
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCO)C(=O)O
InChI
InChI=1S/C20H21NO5/c22-11-5-10-18(19(23)24)21-20(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18,22H,5,10-12H2,(H,21,25)(H,23,24)
InChIKey
ZJOXBTUTWNPBPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
95.95
TPSA
95.86
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
2.7
Consensus LogP
2.63
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
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)
-2.93
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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