CAS RN: 2570190-21-3
Benzyl N-(5-bromo-1-benzothiophen-2-yl)carbamate
- Product code: SSC-122151
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2570190-21-3 / benzyl N-(5-bromo-1-benzothiophen-2-yl)carbamate
Basic Information
CAS
2570190-21-3
Multi CAS
No
Molecular Formula
BC16H12O2RnS
Molecular Weight
362.200000
Exact Mass
360.977210
InChI
InChI=1S/C16H12BrNO2S/c17-13-6-7-14-12(8-13)9-15(21-14)18-16(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
InChIKey
YTZRQQZGMXDBHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.77
TPSA
38.33
LogP / Solubility
WLOGP
5.41
MLOGP
4.78
XLogP3
5
Consensus LogP
5.06
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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