CAS RN: 433253-83-9
2-(1-CYCLOHEXYL-1 H-TETRAZOL-5-YLSULFANYL)-PROPIONIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250131 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS433253-83-9
- Purity/Analytical Methods: >99.0%
433253-83-9 / 2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoic acid
Basic Information
CAS
433253-83-9
Multi CAS
Yes
Molecular Formula
C10H16N4O2S
Molecular Weight
256.330000
Exact Mass
256.099397
InChI
InChI=1S/C10H16N4O2S/c1-7(9(15)16)17-10-11-12-13-14(10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKey
ZUJQHSWZNUSBNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
62.89
TPSA
80.9
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
2.1
Consensus LogP
1.79
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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