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CAS 90237-03-9 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine molecular structure lightbox
CAS RN: 90237-03-9

3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250102 25mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS90237-03-9
  • Purity/Analytical Methods: >99.0%
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90237-03-9 / 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N'-sulfamoylpropanimidamide

Standard CAS: 90237-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90237-03-9
Multi CAS
Yes
Molecular Formula
C8H15N7O3S3
Molecular Weight
353.500000
Exact Mass
353.039851
InChI
InChI=1S/C8H15N7O3S3/c9-6(15-21(12,17)18)1-2-20(16)4-5-3-19-8(13-5)14-7(10)11/h3H,1-2,4H2,(H2,9,15)(H2,12,17,18)(H4,10,11,13,14)
InChIKey
LAZSSGBZNCVJCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
83.64
TPSA
192.9

LogP / Solubility

WLOGP
-1.75
MLOGP
-1.52
XLogP3
-2.1
Consensus LogP
-1.79
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.12

Drug-likeness / Medicinal Chemistry

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

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