CAS RN: 1266227-13-7
N-(5-bromopyridin-3-yl)-3-methylbutanamide
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.20260614 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1266227-13-7
- Purity/Analytical Methods: >99.0%
1266227-13-7 / N-(5-bromo-3-pyridinyl)-3-methylbutanamide
Basic Information
CAS
1266227-13-7
Multi CAS
No
Molecular Formula
C10H13BrN2O
Molecular Weight
257.130000
Exact Mass
256.021130
SMILES
CC(C)CC(=O)NC1=CC(=CN=C1)Br
InChI
InChI=1S/C10H13BrN2O/c1-7(2)3-10(14)13-9-4-8(11)5-12-6-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
UQWKEKGLIOPWDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.02
TPSA
41.99
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2
Consensus LogP
2.44
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Customers Also Viewed
-
![CAS 1266228-88-9 Cyclohexaneacetic acid, 4,4-difluoro-α-[[(phenylmethoxy)carbonyl]amino]-, (αS)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Cyclohexaneacetic acid, 4,4-difluoro-α-[[(phenylmethoxy)carbonyl]amino]-, (αS)-
- CAS RN: 1266228-88-9
- Product Code: SSC-033673
-
-
(R)-7,8-difluorochroman-4-amine hydrochloride
- CAS RN: 1266231-84-8
- Product Code: starshine_CAS1266231-84-8
- Purity/Analytical method: >99.0%
-
Ethyl 2,6-Dichloro-5-fluoropyrimidine-4-carboxylate
- CAS RN: 1266238-63-4
- Product Code: SSC-033678
-
(R)-4-Benzyl-5-hydroxymethylmorpholin-3-one
- CAS RN: 1266238-73-6
- Product Code: starshine_CAS1266238-73-6
- Purity/Analytical method: >99.0%
-
(s)-3-fluoromethyl-morpholine hydrochloride
- CAS RN: 1266238-76-9
- Product Code: starshine_CAS1266238-76-9
- Purity/Analytical method: >99.0%
![CAS 1266228-88-9 Cyclohexaneacetic acid, 4,4-difluoro-α-[[(phenylmethoxy)carbonyl]amino]-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1266228-88-9.gif)
