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CAS 1203707-77-0 4,4′-(benzo[c][1,2,5]thiadiazole-4,7-diyl)dianiline molecular structure lightbox
CAS RN: 1203707-77-0

4,4′-(benzo[c][1,2,5]thiadiazole-4,7-diyl)dianiline

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250330 100mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei, Guangdong Inquiry
Batchno.20260628 10g In stock Shanghai Inquiry
Batchno.20250602 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250526 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251209 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: LINB887513
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1203707-77-0 / 4-[4-(4-aminophenyl)-2,1,3-benzothiadiazol-7-yl]aniline

4,4'-(Benzo[c][1,2,5]thiadiazole-4,7-diyl)dianiline | 4,4'-(Benzo(c)(1,2,5)thiadiazole-4,7-diyl)dianiline | RefChem:506475

Standard CAS: 1203707-77-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203707-77-0
Multi CAS
No
Molecular Formula
C18H14N4S
Molecular Weight
318.400000
Exact Mass
318.093918
SMILES
C1=CC(=CC=C1C2=CC=C(C3=NSN=C23)C4=CC=C(C=C4)N)N
InChI
InChI=1S/C18H14N4S/c19-13-5-1-11(2-6-13)15-9-10-16(18-17(15)21-23-22-18)12-3-7-14(20)8-4-12/h1-10H,19-20H2
InChIKey
JVODNHZESHSUJN-UHFFFAOYSA-N
Synonyms
4,4'-(Benzo[c][1,2,5]thiadiazole-4,7-diyl)dianiline 4,4'-(Benzo(c)(1,2,5)thiadiazole-4,7-diyl)dianiline RefChem:506475 996-210-3 MFCD33023608

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
97.11
TPSA
77.82

LogP / Solubility

WLOGP
4.19
MLOGP
3.7
XLogP3
3.7
Consensus LogP
3.86
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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