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CAS 285978-13-4 N-(9-FLUORENYLMETHOXYCARBONYL)GLYCINE- molecular structure lightbox
CAS RN: 285978-13-4

N-(9-FLUORENYLMETHOXYCARBONYL)GLYCINE-

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Batchno.20260604 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS285978-13-4
  • Purity/Analytical Methods: >99.0%
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285978-13-4 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

Standard CAS: 285978-13-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
285978-13-4
Multi CAS
No
Molecular Formula
C17H15NO4
Molecular Weight
297.300000
Exact Mass
297.100108
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(=O)O
InChI
InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)
InChIKey
NDKDFTQNXLHCGO-UHFFFAOYSA-N

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.71
TPSA
75.63

LogP / Solubility

WLOGP
2.61
MLOGP
2.31
XLogP3
2.7
Consensus LogP
2.54
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

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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