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CAS 138564-60-0 4-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochloride molecular structure lightbox
CAS RN: 138564-60-0

4-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochloride

  • Product code: SSC-048536
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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: ≥95%
  • 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 138564-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

138564-60-0 / 2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-amine;hydrochloride

Standard CAS: 138564-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138564-60-0
Multi CAS
No
Molecular Formula
C12H12ClN3S
Molecular Weight
265.760000
Exact Mass
265.044046
SMILES
CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N.Cl
InChI
InChI=1S/C12H11N3S.ClH/c1-7-6-8-11(13)14-9-4-2-3-5-10(9)15-12(8)16-7;/h2-6,15H,1H3,(H2,13,14);1H
InChIKey
FDWMAKNNNPSUTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.08
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.41
TPSA
50.41

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
3.57
Consensus LogP
3.43
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly 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)
-1.8

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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