![CAS 1234479-76-5 6H-PyriMido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-Methoxy-4-(4-Methyl-1-piperazinyl)phenyl]aMino]-5,11-diMethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1234479-76-5.gif)
CAS RN: 1234479-76-5
6H-PyriMido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-Methoxy-4-(4-Methyl-1-piperazinyl)phenyl]aMino]-5,11-diMethyl-
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250826 | 100mg | In stock | Inquiry | ||
| Batchno.20260527 | 1mg | Out of stock | Inquiry | ||
| Batchno.20250705 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20260405 | 25mg | In stock | Inquiry | ||
| Batchno.20251210 | 5mg | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250527 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1234479-76-5
- Purity/Analytical Methods: >99.0%
1234479-76-5 / 2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
Basic Information
CAS
1234479-76-5
Multi CAS
No
Molecular Formula
C25H29N7O2
Molecular Weight
459.500000
Exact Mass
459.238273
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC
InChI
InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)
InChIKey
DDTPGANIPBKTNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
135.26
TPSA
77.07
LogP / Solubility
WLOGP
3.34
MLOGP
2.97
XLogP3
3.1
Consensus LogP
3.14
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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