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CAS 1805029-25-7 4-Difluoromethyl-3-methoxy-pyridin-2-ylamine molecular structure lightbox
CAS RN: 1805029-25-7

4-Difluoromethyl-3-methoxy-pyridin-2-ylamine

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251101 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
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Batchno.20260301 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
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Batchno.20260614 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: LIND888044
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1805029-25-7 / 4-(difluoromethyl)-3-methoxypyridin-2-amine

Standard CAS: 1805029-25-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1805029-25-7
Multi CAS
No
Molecular Formula
C7H8F2N2O
Molecular Weight
174.150000
Exact Mass
174.060469
SMILES
COC1=C(C=CN=C1N)C(F)F
InChI
InChI=1S/C7H8F2N2O/c1-12-5-4(6(8)9)2-3-11-7(5)10/h2-3,6H,1H3,(H2,10,11)
InChIKey
YORJADBPBADTDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.16
TPSA
48.14

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
1.1
Consensus LogP
1.37
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

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

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