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CAS 1788990-57-7 3-methanesulfonylazepane hydrochloride molecular structure lightbox
CAS RN: 1788990-57-7

3-methanesulfonylazepane hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-079680
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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: ≥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 1788990-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1788990-57-7 / 3-methylsulfonylazepane;hydrochloride

Standard CAS: 1788990-57-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788990-57-7
Multi CAS
No
Molecular Formula
C7H16ClNO2S
Molecular Weight
213.730000
Exact Mass
213.059028
SMILES
CS(=O)(=O)C1CCCCNC1.Cl
InChI
InChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-4-2-3-5-8-6-7;/h7-8H,2-6H2,1H3;1H
InChIKey
IHSCKWVGASQXRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.6
TPSA
46.17

LogP / Solubility

WLOGP
0.59
MLOGP
0.53
XLogP3
0.59
Consensus LogP
0.57
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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