CAS RN: 452340-33-9
1-Bromo-7-(2-propyn-1-yloxy)heptane
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.20250911 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS452340-33-9
- Purity/Analytical Methods: >99.0%
452340-33-9 / 1-bromo-7-prop-2-ynoxyheptane
Basic Information
CAS
452340-33-9
Multi CAS
No
Molecular Formula
C10H17BRO
Molecular Weight
233.140000
Exact Mass
232.046280
InChI
InChI=1S/C10H17BrO/c1-2-9-12-10-7-5-3-4-6-8-11/h1H,3-10H2
InChIKey
JKXNGBZGOIOKLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.8
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
56.53
TPSA
9.23
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.61
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 452340-95-3 Tert-butyl 2-(2,2-diMethyl-4h-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethylcarbaMate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Tert-butyl 2-(2,2-diMethyl-4h-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethylcarbaMate
- CAS RN: 452340-95-3
- Product Code: starshine_CAS452340-95-3
- Purity/Analytical method: >99.0%
-
-
4-METHYL-2-(4-TRIFLUOROMETHYL-PHENYL)-PYRIDINE
- CAS RN: 452342-99-3
- Product Code: starshine_CAS452342-99-3
- Purity/Analytical method: >99.0%
-
N-(3-bromophenyl)cyclohexanecarboxamide
- CAS RN: 452365-99-0
- Product Code: starshine_CAS452365-99-0
- Purity/Analytical method: >99.0%
-
-
![CAS 452340-95-3 Tert-butyl 2-(2,2-diMethyl-4h-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethylcarbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452340-95-3.gif)
