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CAS 66427-86-9 2-chloro-11-Methyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-one molecular structure lightbox
CAS RN: 66427-86-9

2-chloro-11-Methyl-5H-benzo[e]pyriMido[5,4-b][1,4]diazepin-6(11H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-176115
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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: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66427-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

66427-86-9 / 2-chloro-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

Standard CAS: 66427-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66427-86-9
Multi CAS
No
Molecular Formula
C12H9CLN4O
Molecular Weight
260.680000
Exact Mass
260.046489
InChI
InChI=1S/C12H9ClN4O/c1-17-9-5-3-2-4-7(9)11(18)15-8-6-14-12(13)16-10(8)17/h2-6H,1H3,(H,15,18)
InChIKey
DJWRRNUDJBTKNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.5
TPSA
58.12

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.56

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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