[email protected]
CAS 1170568-70-3 ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1170568-70-3

ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1170568-70-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1170568-70-3 / ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrochloride

ethyl 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate hydrochloride | ethyl 3-bromo-5H,6H,7H,8H-imidazo(1,2-a)pyrazine-2-carboxylate hydrochloride | RefChem:594902

Standard CAS: 1170568-70-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1170568-70-3
Multi CAS
No
Molecular Formula
C9H13BrClN3O2
Molecular Weight
310.570000
Exact Mass
308.987970
SMILES
CCOC(=O)C1=C(N2CCNCC2=N1)Br.Cl
InChI
InChI=1S/C9H12BrN3O2.ClH/c1-2-15-9(14)7-8(10)13-4-3-11-5-6(13)12-7;/h11H,2-5H2,1H3;1H
InChIKey
ZQYGKSLNKWCJFB-UHFFFAOYSA-N
Synonyms
ethyl 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate hydrochloride ethyl 3-bromo-5H,6H,7H,8H-imidazo(1,2-a)pyrazine-2-carboxylate hydrochloride RefChem:594902 990-593-0 ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.84
TPSA
56.15

LogP / Solubility

WLOGP
1.35
MLOGP
1.2
XLogP3
1.35
Consensus LogP
1.3
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us