CAS RN: 1945965-95-6
Ropivacaine-cycle
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1945965-95-6
- Purity/Analytical Methods: >99.0%
1945965-95-6 / (8aS)-2-(2,6-dimethylphenyl)-3,3-dimethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
Basic Information
CAS
1945965-95-6
Multi CAS
No
Molecular Formula
C17H24N2O
Molecular Weight
272.400000
Exact Mass
272.188863
SMILES
CC1=C(C(=CC=C1)C)N2C(=O)[C@@H]3CCCCN3C2(C)C
InChI
InChI=1S/C17H24N2O/c1-12-8-7-9-13(2)15(12)19-16(20)14-10-5-6-11-18(14)17(19,3)4/h7-9,14H,5-6,10-11H2,1-4H3/t14-/m0/s1
InChIKey
NUYZOLFAANQEDH-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
81.83
TPSA
23.55
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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