CAS RN: 326898-76-4
4-bromo-N-(oxolan-2-ylmethyl)benzamide
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.20260305 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS326898-76-4
- Purity/Analytical Methods: >99.0%
326898-76-4 / 4-bromo-N-(oxolan-2-ylmethyl)benzamide
Basic Information
CAS
326898-76-4
Multi CAS
No
Molecular Formula
BC12H14O2Rn
Molecular Weight
284.150000
Exact Mass
283.020790
InChI
InChI=1S/C12H14BrNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)
InChIKey
NEEWRHZFBXHGKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.45
TPSA
38.33
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
5-(AZEPANE-1-SULFONYL)-2-METHOXY-BENZOIC ACID
- CAS RN: 326907-67-9
- Product Code: SSC-138328
-
5-(3-BROMO-4-METHYL-PHENYL)-2H-TETRAZOLE
- CAS RN: 326912-89-4
- Product Code: starshine_CAS326912-89-4
- Purity/Analytical method: >99.0%
-
5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
- CAS RN: 326914-10-7
- Product Code: starshine_CAS326914-10-7
- Purity/Analytical method: >99.0%
-
3-(3-bromphenylcarbamoyi)-acrylicacid
- CAS RN: 326914-22-1
- Product Code: starshine_CAS326914-22-1
- Purity/Analytical method: >99.0%
-
Phosphine oxide, bis[4-(1,1-dimethylethyl)phenyl]-
- CAS RN: 326921-37-3
- Product Code: SSC-138334
-
(4-Fluoro-3-methoxy-phenyl)-hydrazine hydrochloride
- CAS RN: 327021-81-8
- Product Code: SSC-138352
.gif)
![CAS 326914-10-7 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9843093(1).gif)
![CAS 326921-37-3 Phosphine oxide, bis[4-(1,1-dimethylethyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/326921-37-3.gif)
