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CAS 13261-63-7 N2,N2,N7,N7-Tetramethyl-9H-fluorene-2,7-diamine molecular structure lightbox
CAS RN: 13261-63-7

N2,N2,N7,N7-Tetramethyl-9H-fluorene-2,7-diamine

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260624 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251012 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: LINN905310
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13261-63-7 / 2-N,2-N,7-N,7-N-tetramethyl-9H-fluorene-2,7-diamine

Standard CAS: 13261-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13261-63-7
Multi CAS
No
Molecular Formula
C17H20N2
Molecular Weight
252.350000
Exact Mass
252.162649
SMILES
CN(C)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N(C)C
InChI
InChI=1S/C17H20N2/c1-18(2)14-5-7-16-12(10-14)9-13-11-15(19(3)4)6-8-17(13)16/h5-8,10-11H,9H2,1-4H3
InChIKey
PBWSLSWOCDRPKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
83.34
TPSA
6.48

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.9
Consensus LogP
3.43
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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