CAS RN: 349403-39-0
2-Bromo-N-butylbenzamide
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.20260308 | 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS349403-39-0
- Purity/Analytical Methods: >99.0%
349403-39-0 / 2-bromo-N-butylbenzamide
Basic Information
CAS
349403-39-0
Multi CAS
No
Molecular Formula
BC11H14ORn
Molecular Weight
256.140000
Exact Mass
255.025880
InChI
InChI=1S/C11H14BrNO/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey
PVEIQVRGXQHPBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.38
TPSA
29.1
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.3
Consensus LogP
2.64
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-BroMo-N-(4-fluorophenyl)benzenesulfonaMide
- CAS RN: 349404-76-8
- Product Code: starshine_CAS349404-76-8
- Purity/Analytical method: >99.0%
-
4-bromo-N-(4-iodophenyl)-benzenesulfonamide（WS203363）
- CAS RN: 349404-77-9
- Product Code: starshine_CAS349404-77-9
- Purity/Analytical method: >99.0%
-
Benzenesulfonamide, 4-bromo-N-(2-iodophenyl)-
- CAS RN: 349404-93-9
- Product Code: SSC-141632
-
349404-95-1
- CAS RN: 349404-95-1
- Product Code: starshine_CAS349404-95-1
- Purity/Analytical method: >99.0%
-
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
- CAS RN: 349405-06-7
- Product Code: SSC-141633
-
3-Bromo-N-cyclopentylbenzamide
- CAS RN: 349405-34-1
- Product Code: starshine_CAS349405-34-1
- Purity/Analytical method: >99.0%
.gif)
![CAS 349405-06-7 methyl 2-[(4-bromophenyl)sulfonylamino]acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/349405-06-7.gif)
