![CAS 198561-07-8 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-propargylglycine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0926-jpgcontextbwfzdgvyfhjvb3r8mze0mzz8aw1hz2uvanblz3xonjyvadyylzg5mza3mdkymdkxmtgvrja5mjyuanbnfdg4zwm1mze2n2u0mtgxyzk5ztzmyte0njq2mdjmntaynji5otqzzda4yti2zda5nmm4mdmxyjgwowzindfkztk.jpeg)
CAS RN: 198561-07-8
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-propargylglycine
- Product code: SSC-093571
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, 100g, 25g, 0.25g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 2 In Stock | Hong Kong | Inquiry |
198561-07-8 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-ynoic acid
Basic Information
CAS
198561-07-8
Multi CAS
No
Molecular Formula
C20H17NO4
Molecular Weight
335.400000
Exact Mass
335.115758
SMILES
C#CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H17NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h1,3-6,8-11,17-18H,7,12H2,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKey
DJGMNCKHNMRKFM-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
93.08
TPSA
75.63
LogP / Solubility
WLOGP
3
MLOGP
2.66
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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