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CAS 94787-97-0 H-Nle-NH2.HCl molecular structure lightbox
CAS RN: 94787-97-0

H-Nle-NH2.HCl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250925 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing 5-7 business days Inquiry
  • Product code: SSC-209987
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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 94787-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

94787-97-0 / (2S)-2-aminohexanamide;hydrochloride

Standard CAS: 94787-97-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94787-97-0
Multi CAS
Yes
Molecular Formula
C6H15CLN2O
Molecular Weight
166.650000
Exact Mass
166.087291
InChI
InChI=1S/C6H14N2O.ClH/c1-2-3-4-5(7)6(8)9;/h5H,2-4,7H2,1H3,(H2,8,9);1H/t5-;/m0./s1
InChIKey
SPTYYKPZSWYQDT-JEDNCBNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.94
TPSA
69.11

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.41
Consensus LogP
0.39
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.44

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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