CAS RN: 1643914-41-3
(5-Bromo-7-chloro-benzofuran-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.20260418 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1643914-41-3
- Purity/Analytical Methods: >99.0%
1643914-41-3 / tert-butyl N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]carbamate
Basic Information
CAS
1643914-41-3
Multi CAS
No
Molecular Formula
C14H15BrClNO3
Molecular Weight
360.630000
Exact Mass
358.992380
SMILES
CC(C)(C)OC(=O)NCC1=CC2=CC(=CC(=C2O1)Cl)Br
InChI
InChI=1S/C14H15BrClNO3/c1-14(2,3)20-13(18)17-7-10-5-8-4-9(15)6-11(16)12(8)19-10/h4-6H,7H2,1-3H3,(H,17,18)
InChIKey
IEMNSFZDWWSDIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82
TPSA
51.47
LogP / Solubility
WLOGP
4.87
MLOGP
4.31
XLogP3
4.2
Consensus LogP
4.46
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.29
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)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1643923-77-6 1-methyl-4-{1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl}piperazine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-methyl-4-{1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl}piperazine
- CAS RN: 1643923-77-6
- Product Code: starshine_CAS1643923-77-6
- Purity/Analytical method: >99.0%
-
9,9-Dimethyl-10-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-9,10-dihydro-acridine
- CAS RN: 1643935-09-4
- Product Code: SSC-071819
-
-
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 1643958-21-7
- Product Code: starshine_CAS1643958-21-7
- Purity/Analytical method: >99.0%
-
1-(6-methoxypyridin-2-yl)ethan-1-amine hydrochloride
- CAS RN: 1643978-65-7
- Product Code: SSC-071831
![CAS 1643923-77-6 1-methyl-4-{1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl}piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1643923-77-6.gif)
![CAS 1643935-09-4 9,9-Dimethyl-10-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-9,10-dihydro-acridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1643935-09-4.gif)
