CAS RN: 828928-72-9
Carbamic acid, (5-bromo-2-thiazolyl)-, methyl ester (9CI)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC927281
828928-72-9 / methyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
Basic Information
CAS
828928-72-9
Multi CAS
No
Molecular Formula
BC5H5O2Rn2S
Molecular Weight
237.080000
Exact Mass
235.925510
InChI
InChI=1S/C5H5BrN2O2S/c1-10-5(9)8-4-7-2-3(6)11-4/h2H,1H3,(H,7,8,9)
InChIKey
AILBSSZSXXMLKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.84
TPSA
51.22
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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