CAS RN: 9013-20-1
Streptavidin from Streptomyces avidinii
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 1mg / 5mg / 10mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei, Chongqing | Inquiry |
- Product code: ICTS0951
9013-20-1 / 2-[(3-chlorophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid bromide
Basic Information
CAS
9013-20-1
Multi CAS
Yes
Molecular Formula
C14H17BRCLNO2S
Molecular Weight
378.700000
Exact Mass
376.985190
InChI
InChI=1S/C14H16ClNO2S.BrH/c15-12-6-4-5-11(9-12)14(19-10-13(17)18)16-7-2-1-3-8-16;/h4-6,9H,1-3,7-8,10H2;1H
InChIKey
RTWACOLFHOBGCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.5
TPSA
40.31
LogP / Solubility
WLOGP
0.1
MLOGP
0.11
XLogP3
0.1
Consensus LogP
0.1
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.96
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
1.5
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