CAS RN: 713107-42-7
(4-bromothiazol-2-ylmethyl)carbamic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250825 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS713107-42-7
- Purity/Analytical Methods: >99.0%
713107-42-7 / tert-butyl N-[(5-bromo-1,3-thiazol-2-yl)methyl]carbamate
Basic Information
CAS
713107-42-7
Multi CAS
Yes
Molecular Formula
BC9H13O2Rn2S
Molecular Weight
293.180000
Exact Mass
291.988110
InChI
InChI=1S/C9H13BrN2O2S/c1-9(2,3)14-8(13)12-5-7-11-4-6(10)15-7/h4H,5H2,1-3H3,(H,12,13)
InChIKey
KZWLYPGSSJIELD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.89
TPSA
51.22
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.5
Consensus LogP
2.67
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-2.43
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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