CAS RN: 2320274-78-8
(RS)-Butyryltimolol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260225 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2320274-78-8
- Purity/Analytical Methods: >99.0%
2320274-78-8 / [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] butanoate
Basic Information
CAS
2320274-78-8
Multi CAS
No
Molecular Formula
C17H30N4O4S
Molecular Weight
386.500000
Exact Mass
386.198777
SMILES
CCCC(=O)OC(CNC(C)(C)C)COC1=NSN=C1N2CCOCC2
InChI
InChI=1S/C17H30N4O4S/c1-5-6-14(22)25-13(11-18-17(2,3)4)12-24-16-15(19-26-20-16)21-7-9-23-10-8-21/h13,18H,5-12H2,1-4H3
InChIKey
IGJCFKQCZRWRRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.82
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
1
Molar refractivity
100.98
TPSA
85.81
LogP / Solubility
WLOGP
1.85
MLOGP
1.65
XLogP3
3.2
Consensus LogP
2.23
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-3.76
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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