CAS RN: 603151-83-3
NBI 35965 hydrochloride
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.20250305 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS603151-83-3
- Purity/Analytical Methods: >99.0%
603151-83-3 / (10S)-9-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-10-ethyl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanesulfonic acid
Basic Information
CAS
603151-83-3
Multi CAS
Yes
Molecular Formula
C22H26CL2N4O3S
Molecular Weight
497.400000
Exact Mass
496.110267
InChI
InChI=1S/C21H22Cl2N4.CH4O3S/c1-3-15-11-27-21-18(26(15)10-13-4-5-13)8-12(2)24-20(21)19(25-27)16-7-6-14(22)9-17(16)23;1-5(2,3)4/h6-9,13,15H,3-5,10-11H2,1-2H3;1H3,(H,2,3,4)/t15-;/m0./s1
InChIKey
ARENHXRYYRAMQA-RSAXXLAASA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
129.34
TPSA
88.32
LogP / Solubility
WLOGP
5.23
MLOGP
4.63
XLogP3
5.23
Consensus LogP
5.03
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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