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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1643796-25-1 / benzyl N-(2-bromo-5-fluorophenyl)carbamate
Basic Information
CAS
1643796-25-1
Multi CAS
No
Molecular Formula
C14H11BrFNO2
Molecular Weight
324.140000
Exact Mass
322.995720
SMILES
C1=CC=C(C=C1)COC(=O)NC2=C(C=CC(=C2)F)Br
InChI
InChI=1S/C14H11BrFNO2/c15-12-7-6-11(16)8-13(12)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKey
CUHOEXJFKIJCFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.35
TPSA
38.33
LogP / Solubility
WLOGP
4.34
MLOGP
3.83
XLogP3
3.4
Consensus LogP
3.86
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
5-Bromo-2-phenyl-2H-benzotriazole
- CAS RN: 1643848-10-5
- Product Code: starshine_CAS1643848-10-5
- Purity/Analytical method: >99.0%
-
-
[1,1′:4′,1”-Terphenyl]-4,4”-diamine, N4,N4”-bis[4-(2-benzoxazolyl)phenyl]-N4,N4”-diphenyl-
- CAS RN: 1643848-14-9
- Product Code: SSC-071809
-
-
-
![CAS 1643848-14-9 [1,1′:4′,1”-Terphenyl]-4,4”-diamine, N4,N4”-bis[4-(2-benzoxazolyl)phenyl]-N4,N4”-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1643848-14-9.gif)
