![CAS 112342-70-8 Ethyl (6-broMothiazolo[4,5-b]pyrazin-2-yl)carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/112342-70-8.gif)
CAS RN: 112342-70-8
Ethyl (6-broMothiazolo[4,5-b]pyrazin-2-yl)carbaMate
- Product code: SSC-012791
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
112342-70-8 / ethyl N-(6-bromo-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate
Ethyl (6-bromothiazolo[4,5-b]pyrazin-2-yl)carbamate | MFCD09909709 | ethyl N-(6-bromo-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate
Basic Information
CAS
112342-70-8
Multi CAS
No
Molecular Formula
C8H7BrN4O2S
Molecular Weight
303.140000
Exact Mass
301.947310
SMILES
CCOC(=O)NC1=NC2=NC=C(N=C2S1)Br
InChI
InChI=1S/C8H7BrN4O2S/c1-2-15-8(14)13-7-12-5-6(16-7)11-4(9)3-10-5/h3H,2H2,1H3,(H,10,12,13,14)
InChIKey
XXOZIYKQVRGKHL-UHFFFAOYSA-N
Synonyms
Ethyl (6-bromothiazolo[4,5-b]pyrazin-2-yl)carbamate
MFCD09909709
ethyl N-(6-bromo-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate
ETHYL N-{6-BROMO-[1,3]THIAZOLO[4,5-B]PYRAZIN-2-YL}CARBAMATE
XXOZIYKQVRGKHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
63.55
TPSA
77
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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