![CAS 136497-85-3 L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2-propenyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/136497-85-3.gif)
CAS RN: 136497-85-3
L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2-propenyl ester
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-045511
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: 0.25g, 100g, 10g, 5g, 1g, 25g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 4 In Stock | Beijing | Inquiry |
| 5g | >97% | 3 In Stock | Beijing | Inquiry |
| 1g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 2 In Stock | Shenzhen | Inquiry |
136497-85-3 / prop-2-enyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoate
Basic Information
CAS
136497-85-3
Multi CAS
No
Molecular Formula
C21H21NO5
Molecular Weight
367.400000
Exact Mass
367.141973
SMILES
C=CCOC(=O)[C@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H21NO5/c1-2-11-26-20(24)19(12-23)22-21(25)27-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19,23H,1,11-13H2,(H,22,25)/t19-/m0/s1
InChIKey
HJPQKBAZSODTJO-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100.23
TPSA
84.86
LogP / Solubility
WLOGP
2.62
MLOGP
2.32
XLogP3
3
Consensus LogP
2.65
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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