CAS RN: 1820711-67-8
3-Bromo-6-chloro-2-fluoroaniline,N-BOCprotected,tech
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.20250710 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-082915
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 | Shenzhen | Inquiry |
1820711-67-8 / tert-butyl N-(3-bromo-6-chloro-2-fluorophenyl)carbamate
Basic Information
CAS
1820711-67-8
Multi CAS
No
Molecular Formula
C11H12BrClFNO2
Molecular Weight
324.570000
Exact Mass
322.972400
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=C1F)Br)Cl
InChI
InChI=1S/C11H12BrClFNO2/c1-11(2,3)17-10(16)15-9-7(13)5-4-6(12)8(9)14/h4-5H,1-3H3,(H,15,16)
InChIKey
JGBBDTFBCUJLOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.97
TPSA
38.33
LogP / Solubility
WLOGP
4.59
MLOGP
4.05
XLogP3
3.9
Consensus LogP
4.18
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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