CAS RN: 68677-06-5
lorapride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250110 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS68677-06-5
- Purity/Analytical Methods: >99.0%
68677-06-5 / 4-amino-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzenesulfonamide
Basic Information
CAS
68677-06-5
Multi CAS
Yes
Molecular Formula
C14H22CLN3O3S
Molecular Weight
347.900000
Exact Mass
347.107040
InChI
InChI=1S/C14H22ClN3O3S/c1-3-18-6-4-5-10(18)9-17-22(19,20)14-7-11(15)12(16)8-13(14)21-2/h7-8,10,17H,3-6,9,16H2,1-2H3
InChIKey
YSWVLPFCGJOQQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.87
TPSA
84.66
LogP / Solubility
WLOGP
1.69
MLOGP
1.51
XLogP3
1.8
Consensus LogP
1.67
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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