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CAS 1214-79-5 5-(N,N-DIMETHYL)-AMILORIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1214-79-5

5-(N,N-DIMETHYL)-AMILORIDE HYDROCHLORIDE

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100mg Out of stock Inquiry
Batchno.20250312 10mg In stock Shanghai Inquiry
Batchno.20251111 25mg In stock Shanghai Inquiry
Batchno.20260402 50mg In stock Shanghai Inquiry
Batchno.20250310 5mg Out of stock Inquiry
  • Product code: starshine_CAS1214-79-5
  • Purity/Analytical Methods: >99.0%
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1214-79-5 / 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide

Standard CAS: 1214-79-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1214-79-5
Multi CAS
No
Molecular Formula
C8H12ClN7O
Molecular Weight
257.680000
Exact Mass
257.079186
SMILES
CN(C)C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N
InChI
InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17)
InChIKey
RXMUPNVSYKGKMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
65.92
TPSA
136.51

LogP / Solubility

WLOGP
-0.81
MLOGP
-0.7
XLogP3
0.1
Consensus LogP
-0.47
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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