![CAS 262372-91-8 BENZYL-[4-(4-BROMO-PHENYL)-THIAZOL-2-YL]-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2270674.gif)
CAS RN: 262372-91-8
BENZYL-[4-(4-BROMO-PHENYL)-THIAZOL-2-YL]-AMINE
- Product code: SSC-123484
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 |
262372-91-8 / N-benzyl-4-(4-bromophenyl)-1,3-thiazol-2-amine
Basic Information
CAS
262372-91-8
Multi CAS
No
Molecular Formula
C16H13BrN2S
Molecular Weight
345.300000
Exact Mass
343.998280
SMILES
C1=CC=C(C=C1)CNC2=NC(=CS2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H13BrN2S/c17-14-8-6-13(7-9-14)15-11-20-16(19-15)18-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)
InChIKey
DCTOAHONJGFJPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.02
TPSA
24.92
LogP / Solubility
WLOGP
5.18
MLOGP
4.58
XLogP3
5.1
Consensus LogP
4.95
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
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
No
Log Kp (skin permeation)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 262381-84-0 N-[[L-trans-3-(Ethoxycarbonyl)oxiran-2-yl]carbonyl]-L-leucyl-3-(p-hydroxyphenyl)ethylamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-[[L-trans-3-(Ethoxycarbonyl)oxiran-2-yl]carbonyl]-L-leucyl-3-(p-hydroxyphenyl)ethylamide
- CAS RN: 262381-84-0
- Product Code: starshine_CAS262381-84-0
- Purity/Analytical method: >99.0%
-
CarbaMic acid, N,N-di-2-propyn-1-yl-, 1,1-diMethylethyl ester
- CAS RN: 262418-92-8
- Product Code: SSC-123529
-
(R)-3-AMINO-3-(3-CHLORO-PHENYL)-PROPIONIC ACID
- CAS RN: 262429-49-2
- Product Code: SSC-123535
-
Carbamic acid, (4-bromo-2-methoxyphenyl)-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 262433-01-2
- Product Code: SSC-123537
-
4-(TERT-BUTOXYCARBONYLAMINO)-3-METHOXYPHENYLBORONIC ACID, PINACOL ESTER
- CAS RN: 262433-02-3
- Product Code: SSC-123538
-
ATN-161
- CAS RN: 262438-43-7
- Product Code: starshine_CAS262438-43-7
- Purity/Analytical method: >99.0%
![CAS 262381-84-0 N-[[L-trans-3-(Ethoxycarbonyl)oxiran-2-yl]carbonyl]-L-leucyl-3-(p-hydroxyphenyl)ethylamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/262381-84-0.gif)
