CAS RN: 2143896-83-5
PKUMDL-LC-101-D04
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250307 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2143896-83-5
- Purity/Analytical Methods: >99.0%
2143896-83-5 / 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylthiourea;hydrochloride
Basic Information
CAS
2143896-83-5
Multi CAS
No
Molecular Formula
C14H23ClN4O2S2
Molecular Weight
378.900000
Exact Mass
378.095096
SMILES
C1CCC(C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCN.Cl
InChI
InChI=1S/C14H22N4O2S2.ClH/c15-9-10-16-22(19,20)13-7-5-12(6-8-13)18-14(21)17-11-3-1-2-4-11;/h5-8,11,16H,1-4,9-10,15H2,(H2,17,18,21);1H
InChIKey
FELDRJSFLBINQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
99.55
TPSA
96.25
LogP / Solubility
WLOGP
1.57
MLOGP
1.41
XLogP3
1.57
Consensus LogP
1.52
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91
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
2.5
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