![CAS 620098-27-3 Glycine, N-(carboxymethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(2-propen-1-yl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/620098-27-3.gif)
CAS RN: 620098-27-3
Glycine, N-(carboxymethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(2-propen-1-yl) ester
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.20260317 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS620098-27-3
- Purity/Analytical Methods: >99.0%
620098-27-3 / 2-[9H-fluoren-9-ylmethoxycarbonyl-(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid
Basic Information
CAS
620098-27-3
Multi CAS
No
Molecular Formula
C22H21NO6
Molecular Weight
395.400000
Exact Mass
395.136887
InChI
InChI=1S/C22H21NO6/c1-2-11-28-21(26)13-23(12-20(24)25)22(27)29-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19H,1,11-14H2,(H,24,25)
InChIKey
VBUQOCMDYKTWTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
105.43
TPSA
93.14
LogP / Solubility
WLOGP
3.05
MLOGP
2.71
XLogP3
3.4
Consensus LogP
3.05
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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)
-2.97
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
2.5
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