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CAS 17451-62-6 N-ME-HIS-OH HCL molecular structure lightbox
CAS RN: 17451-62-6

N-ME-HIS-OH HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-076553
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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 17451-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17451-62-6 / (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride

Standard CAS: 17451-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17451-62-6
Multi CAS
No
Molecular Formula
C7H12ClN3O2
Molecular Weight
205.640000
Exact Mass
205.061804
SMILES
CN[C@@H](CC1=CN=CN1)C(=O)O.Cl
InChI
InChI=1S/C7H11N3O2.ClH/c1-8-6(7(11)12)2-5-3-9-4-10-5;/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12);1H/t6-;/m0./s1
InChIKey
QQCAMJPAJDEDCG-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.02
TPSA
78.01

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
0.05
Consensus LogP
0.05
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.94

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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