CAS RN: 6875-49-6
1-Butanaminium, 4-bromo-N,N,N-trimethyl-, bromide
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.20260312 | 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6875-49-6
- Purity/Analytical Methods: >99.0%
6875-49-6 / 4-bromobutyl(trimethyl)azanium bromide
Basic Information
CAS
6875-49-6
Multi CAS
No
Molecular Formula
C7H17BR2N
Molecular Weight
275.020000
Exact Mass
274.970730
InChI
InChI=1S/C7H17BrN.BrH/c1-9(2,3)7-5-4-6-8;/h4-7H2,1-3H3;1H/q+1;/p-1
InChIKey
ZQKJDSWJSPZYNR-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
45.93
TPSA
0.0000
LogP / Solubility
WLOGP
-1.13
MLOGP
-0.98
XLogP3
-1.13
Consensus LogP
-1.08
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.2
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
-
-
2,4,6-TRIS(4-CYANOPHENYL)-1,3,5-TRIAZINE
- CAS RN: 6876-34-2
- Product Code: starshine_CAS6876-34-2
- Purity/Analytical method: >99.0%
-
2-CYANO-N-P-TOLYL-ACETAMIDE
- CAS RN: 6876-54-6
- Product Code: starshine_CAS6876-54-6
- Purity/Analytical method: >99.0%
-
tuberostemonine
- CAS RN: 6879-01-2
- Product Code: starshine_CAS6879-01-2
- Purity/Analytical method: >99.0%
-
3,7,12,23-tetrahydroxycholan-24-oic acid
- CAS RN: 6879-45-4
- Product Code: starshine_CAS6879-45-4
- Purity/Analytical method: >99.0%
-
