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CAS 34376-54-0 2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one molecular structure lightbox
CAS RN: 34376-54-0

2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260219 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-140733
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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: 5g
  • Available purity: ≥98%
  • 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 34376-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

34376-54-0 / 1,4-diazepan-5-one

Standard CAS: 34376-54-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34376-54-0
Multi CAS
Yes
Molecular Formula
C5H10N2O
Molecular Weight
114.150000
Exact Mass
114.079313
InChI
InChI=1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)
InChIKey
QPPLBCQXWDBQFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.5
TPSA
41.13

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.81
XLogP3
-1.2
Consensus LogP
-0.97
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
0.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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