CAS RN: 913844-45-8
H-1152Glycyl, Dihydrochloride
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.20251204 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS913844-45-8
- Purity/Analytical Methods: >99.0%
913844-45-8 / 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone;dihydrochloride
Basic Information
CAS
913844-45-8
Multi CAS
Yes
Molecular Formula
C18H26CL2N4O3S
Molecular Weight
449.400000
Exact Mass
448.110267
InChI
InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1
InChIKey
CMKMGFAUKPAOMG-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
114.58
TPSA
96.6
LogP / Solubility
WLOGP
1.96
MLOGP
1.75
XLogP3
1.96
Consensus LogP
1.89
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07
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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