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CAS 1384080-92-5 4-H-Pyrazolo[1,5-d][1,4]diazepine-2-carboxylic acid,5,6,7,8-tetrahydro, ethyl ester, HCl molecular structure lightbox
CAS RN: 1384080-92-5

4-H-Pyrazolo[1,5-d][1,4]diazepine-2-carboxylic acid,5,6,7,8-tetrahydro, ethyl ester, HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-048370
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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 1384080-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1384080-92-5 / ethyl 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate;hydrochloride

Standard CAS: 1384080-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384080-92-5
Multi CAS
No
Molecular Formula
C10H16ClN3O2
Molecular Weight
245.700000
Exact Mass
245.093105
SMILES
CCOC(=O)C1=NN2CCCNCC2=C1.Cl
InChI
InChI=1S/C10H15N3O2.ClH/c1-2-15-10(14)9-6-8-7-11-4-3-5-13(8)12-9;/h6,11H,2-5,7H2,1H3;1H
InChIKey
UYLFMOBUIHIYRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.76
TPSA
56.15

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.97
Consensus LogP
0.93
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.53

Drug-likeness / Medicinal Chemistry

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

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