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CAS 160312-62-9 1-((7,7-DIMETHYL-2(S)-(2(S)-AMINO-4-(METHYLSULFONYL)BUTYRAMIDO)BICYCLO[2,2,1]HEPTAN-1(S)-YL)METHYLSULFONYL)-4-(2-METHYLPHENYL)PIPERAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 160312-62-9

1-((7,7-DIMETHYL-2(S)-(2(S)-AMINO-4-(METHYLSULFONYL)BUTYRAMIDO)BICYCLO[2,2,1]HEPTAN-1(S)-YL)METHYLSULFONYL)-4-(2-METHYLPHENYL)PIPERAZINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 100mg In stock Shanghai Inquiry
Batchno.20250622 10mg In stock Shanghai Inquiry
Batchno.20250817 1mg In stock Shanghai Inquiry
Batchno.20250626 250mg In stock Shanghai Inquiry
Batchno.20251024 25mg In stock Shanghai Inquiry
Batchno.20250919 50mg In stock Shanghai Inquiry
Batchno.20250726 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250326 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-068310
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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: 0.1g
  • 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 160312-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

160312-62-9 / (2S)-2-amino-N-[(2S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide;hydrochloride

Standard CAS: 160312-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160312-62-9
Multi CAS
No
Molecular Formula
C26H43ClN4O5S2
Molecular Weight
591.200000
Exact Mass
590.236341
SMILES
CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)C[C@@H]4NC(=O)[C@H](CCS(=O)(=O)C)N.Cl
InChI
InChI=1S/C26H42N4O5S2.ClH/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33;/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31);1H/t20-,21+,23+,26-;/m1./s1
InChIKey
GIUFQWFJHXXXEQ-SWJTYIIKSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
153.79
TPSA
129.88

LogP / Solubility

WLOGP
1.94
MLOGP
1.76
XLogP3
1.94
Consensus LogP
1.88
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

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