![CAS 1234479-75-4 2-chloro-5,11-diMethyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1234479-75-4.gif)
CAS RN: 1234479-75-4
2-chloro-5,11-diMethyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-one
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.20260603 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-027128
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1234479-75-4 / 2-chloro-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
Basic Information
CAS
1234479-75-4
Multi CAS
No
Molecular Formula
C13H11ClN4O
Molecular Weight
274.700000
Exact Mass
274.062139
SMILES
CN1C2=CC=CC=C2C(=O)N(C3=CN=C(N=C31)Cl)C
InChI
InChI=1S/C13H11ClN4O/c1-17-9-6-4-3-5-8(9)12(19)18(2)10-7-15-13(14)16-11(10)17/h3-7H,1-2H3
InChIKey
LYOSDZFHLPULJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.15
H-bond acceptors
4
Molar refractivity
74.28
TPSA
49.33
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.3
Consensus LogP
2.33
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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