CAS RN: 1215070-96-4
7-Aminoclonazepam-d
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.20250311 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1215070-96-4
- Purity/Analytical Methods: >99.0%
1215070-96-4 / 7-amino-5-(2-chloro-3,4,5,6-tetradeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Basic Information
CAS
1215070-96-4
Multi CAS
No
Molecular Formula
C15H12ClN3O
Molecular Weight
289.750000
Exact Mass
289.091997
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C2=NCC(=O)NC3=C2C=C(C=C3)N)Cl)[2H])[2H]
InChI
InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)/i1D,2D,3D,4D
InChIKey
HEFRPWRJTGLSSV-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.44
TPSA
67.48
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
1.8
Consensus LogP
2.3
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
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
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501
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