CAS RN: 68377-92-4
AROTINOLOL
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250101 | 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS68377-92-4
- Purity/Analytical Methods: >99.0%
68377-92-4 / 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
Basic Information
CAS
68377-92-4
Multi CAS
Yes
Molecular Formula
C15H21N3O2S3
Molecular Weight
371.500000
Exact Mass
371.079590
InChI
InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
InChIKey
BHIAIPWSVYSKJS-UHFFFAOYSA-N
Physical Properties
Melting Point
149-153ºC
Boiling Point
599ºC at 760 mmHg
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
98.43
TPSA
88.24
LogP / Solubility
WLOGP
2.81
MLOGP
2.49
XLogP3
2.3
Consensus LogP
2.53
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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)
-2.99
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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