![CAS 77128-70-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methylglycine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1163-jpgcontextbwfzdgvyfhjvb3r8mjg5mjl8aw1hz2uvanblz3xoowqvadewlzg5mza3mjeynjc3ndivrjexnjmuanbnfdjkn2fizji1ogmyztbjntvmodc2zgiyzjmzodljmwi0mjyymwe1mzvjm2rhzdu1otg3odmyotdmzdcwywfizgq.jpeg)
CAS RN: 77128-70-2
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methylglycine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: SSC-186582
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: 10g, 25g, 100g, 500g
- Available purity: ＞97%
- 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.
77128-70-2 / 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
Basic Information
CAS
77128-70-2
Multi CAS
Yes
Molecular Formula
C18H17NO4
Molecular Weight
311.300000
Exact Mass
311.115758
InChI
InChI=1S/C18H17NO4/c1-19(10-17(20)21)18(22)23-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,20,21)
InChIKey
ZHKQIADIIYMFOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.33
TPSA
66.84
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
2.8
Consensus LogP
2.79
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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