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CAS 4751-61-5 4,6,7,8-TETRAHYDRO-THIENO[3,2-B]AZEPIN-5-ONE molecular structure lightbox
CAS RN: 4751-61-5

4,6,7,8-TETRAHYDRO-THIENO[3,2-B]AZEPIN-5-ONE

  • Product code: SSC-154476
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4751-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

4751-61-5 / 4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one

Standard CAS: 4751-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4751-61-5
Multi CAS
No
Molecular Formula
C8H9NOS
Molecular Weight
167.230000
Exact Mass
167.040485
InChI
InChI=1S/C8H9NOS/c10-8-3-1-2-7-6(9-8)4-5-11-7/h4-5H,1-3H2,(H,9,10)
InChIKey
JCPGPXIPUOJEBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.89
TPSA
29.1

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.1
Consensus LogP
1.63
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.3

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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