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CAS 84057-84-1 Lamotrigine molecular structure lightbox
CAS RN: 84057-84-1

Lamotrigine

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260304 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250409 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20251224 25g Out of stock Inquiry
Batchno.20260304 5g Out of stock Inquiry
  • Product code: ICTL0241
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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84057-84-1 / 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine

Standard CAS: 84057-84-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
84057-84-1
Multi CAS
No
Molecular Formula
C9H7CL2N5
Molecular Weight
256.090000
Exact Mass
255.007851
InChI
InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKey
PYZRQGJRPPTADH-UHFFFAOYSA-N

Physical Properties

Melting Point
177-181 216-218 °C (uncorr) 216 - 218 °C (uncorr.)
Boiling Point
503.1±60.0
Physical Description
Solid
Appearance
White to pale cream-colored powder. Crystals from isopropanol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.11
TPSA
90.71

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
1.4
Consensus LogP
1.73
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

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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