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CAS 892878-63-6 FMOC-4-AMINO-3-METHYLBENZOIC ACID molecular structure lightbox
CAS RN: 892878-63-6

FMOC-4-AMINO-3-METHYLBENZOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS892878-63-6
  • Purity/Analytical Methods: >99.0%
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892878-63-6 / 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbenzoic acid

Standard CAS: 892878-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
892878-63-6
Multi CAS
No
Molecular Formula
C23H19NO4
Molecular Weight
373.400000
Exact Mass
373.131408
InChI
InChI=1S/C23H19NO4/c1-14-12-15(22(25)26)10-11-21(14)24-23(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
AEMDMIXDWRNKND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.83
TPSA
75.63

LogP / Solubility

WLOGP
5.05
MLOGP
4.47
XLogP3
4.5
Consensus LogP
4.67
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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