CAS RN: 1998158-84-1
Cloniprazepam
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.20250831 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1998158-84-1
- Purity/Analytical Methods: >99.0%
1998158-84-1 / 5-(2-chlorophenyl)-1-(cyclopropylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one
Basic Information
CAS
1998158-84-1
Multi CAS
No
Molecular Formula
C19H16ClN3O3
Molecular Weight
369.800000
Exact Mass
369.088019
SMILES
C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4Cl
InChI
InChI=1S/C19H16ClN3O3/c20-16-4-2-1-3-14(16)19-15-9-13(23(25)26)7-8-17(15)22(11-12-5-6-12)18(24)10-21-19/h1-4,7-9,12H,5-6,10-11H2
InChIKey
CCSYKGYLSFXNTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
100.13
TPSA
75.81
LogP / Solubility
WLOGP
3.84
MLOGP
3.4
XLogP3
3.2
Consensus LogP
3.48
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
H361f (100%): Suspected of damaging fertility [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P271, P280, P304+P340, P318, P319, P403+P233, P405, and P501
Customers Also Viewed
-
2-Amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid hydrochloride
- CAS RN: 1998215-80-7
- Product Code: starshine_CAS1998215-80-7
- Purity/Analytical method: >99.0%
-
2-(2-(Methylthio)phenyl)pyrrolidine hydrochloride
- CAS RN: 1998215-83-0
- Product Code: starshine_CAS1998215-83-0
- Purity/Analytical method: >99.0%
-
-
3-(piperazin-1-yl)benzoic acid hydrochloride
- CAS RN: 1998216-00-4
- Product Code: SSC-094053
-
7,8-Dihydro-6H-[1,3]dioxolo[4,5-e]isoindole hydrochloride
- CAS RN: 1998216-16-2
- Product Code: SSC-094055
-
![CAS 1998215-95-4 6-iodo-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998215-95-4.gif)
![CAS 1998216-16-2 7,8-Dihydro-6H-[1,3]dioxolo[4,5-e]isoindole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998216-16-2.gif)
.gif)