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CAS 71666-95-0 H-HIS-NH2 2HCL molecular structure lightbox
CAS RN: 71666-95-0

H-HIS-NH2 2HCL

  • Product code: SSC-181233
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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: 5g
  • Available purity: ＞97%
  • 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 71666-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

71666-95-0 / 2-amino-3-(1H-imidazol-5-yl)propanamide;dihydrochloride

Standard CAS: 71666-95-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71666-95-0
Multi CAS
Yes
Molecular Formula
C6H12CL2N4O
Molecular Weight
227.090000
Exact Mass
226.038816
InChI
InChI=1S/C6H10N4O.2ClH/c7-5(6(8)11)1-4-2-9-3-10-4;;/h2-3,5H,1,7H2,(H2,8,11)(H,9,10);2*1H
InChIKey
CRBYFJCXMZNLTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.96
TPSA
97.79

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.34
XLogP3
-0.39
Consensus LogP
-0.37
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.38

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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