CAS RN: 18495-26-6
1-bromohept-2-yne
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.20250208 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS18495-26-6
- Purity/Analytical Methods: >99.0%
18495-26-6 / 1-bromohept-2-yne
Basic Information
CAS
18495-26-6
Multi CAS
No
Molecular Formula
C7H11Br
Molecular Weight
175.070000
Exact Mass
174.004410
SMILES
CCCCC#CCBr
InChI
InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h2-4,7H2,1H3
InChIKey
KKMUDMXKHAZCFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.71
Rotatable bonds
2
Molar refractivity
41.1
TPSA
0.0000
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
3.1
Consensus LogP
2.64
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
[1,2-Bis(diphenyphosphino)ethane]dichlorocobalt(II)
- CAS RN: 18498-01-6
- Product Code: starshine_CAS18498-01-6
- Purity/Analytical method: >99.0%
-
-
-
1-hydrazino-2-propanol(SALTDATA: FREE)
- CAS RN: 18501-20-7
- Product Code: starshine_CAS18501-20-7
- Purity/Analytical method: >99.0%
![CAS 18498-01-6 [1,2-Bis(diphenyphosphino)ethane]dichlorocobalt(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/18498-01-6.gif)
