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CAS 1638137-85-5 (S)-1-(3-Methyl-Piperazin-1-Yl)-Ethanone Hydrochloride molecular structure lightbox
CAS RN: 1638137-85-5

(S)-1-(3-Methyl-Piperazin-1-Yl)-Ethanone Hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-071192
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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 1638137-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1638137-85-5 / 1-[(3S)-3-methylpiperazin-1-yl]ethanone;hydrochloride

Standard CAS: 1638137-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638137-85-5
Multi CAS
No
Molecular Formula
C7H15ClN2O
Molecular Weight
178.660000
Exact Mass
178.087291
SMILES
C[C@H]1CN(CCN1)C(=O)C.Cl
InChI
InChI=1S/C7H14N2O.ClH/c1-6-5-9(7(2)10)4-3-8-6;/h6,8H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKey
ZUUWWWBWFGAYQM-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.97
TPSA
32.34

LogP / Solubility

WLOGP
0.25
MLOGP
0.22
XLogP3
0.25
Consensus LogP
0.24
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
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)
-3.63

Drug-likeness / Medicinal Chemistry

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

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