CAS RN: 209219-38-5
Z-360
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250113 | 100mg | Out of stock | Inquiry | |
| Batchno.20260326 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260517 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260419 | 250mg | Out of stock | Inquiry | |
| Batchno.20251209 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250516 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260202 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS209219-38-5
- Purity/Analytical Methods: >99.0%
209219-38-5 / 3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
Basic Information
CAS
209219-38-5
Multi CAS
No
Molecular Formula
C29H36N4O5
Molecular Weight
520.600000
Exact Mass
520.268570
SMILES
CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4
InChI
InChI=1S/C29H36N4O5/c1-29(2,3)25(34)18-33-24-15-8-7-14-23(24)32(21-12-5-4-6-13-21)17-22(26(33)35)31-28(38)30-20-11-9-10-19(16-20)27(36)37/h7-11,14-16,21-22H,4-6,12-13,17-18H2,1-3H3,(H,36,37)(H2,30,31,38)/t22-/m1/s1
InChIKey
VIJCCFFEBCOOIE-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
146.82
TPSA
119.05
LogP / Solubility
WLOGP
4.68
MLOGP
4.15
XLogP3
4.4
Consensus LogP
4.41
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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