CAS RN: 875863-22-2
STING-agonist-C11
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250106 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS875863-22-2
- Purity/Analytical Methods: >99.0%
875863-22-2 / N-(methylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
Basic Information
CAS
875863-22-2
Multi CAS
No
Molecular Formula
C19H18N4O3S
Molecular Weight
382.400000
Exact Mass
382.109962
InChI
InChI=1S/C19H18N4O3S/c1-12-8-10-14(11-9-12)17-22-23-19(26-17)27-15(13-6-4-3-5-7-13)16(24)21-18(25)20-2/h3-11,15H,1-2H3,(H2,20,21,24,25)
InChIKey
KQKWXSQTTDLZSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
102.11
TPSA
97.12
LogP / Solubility
WLOGP
3.33
MLOGP
2.96
XLogP3
3.8
Consensus LogP
3.36
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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