CAS RN: 2809-65-6
BENZENE,1-CHLORO-4-(1-PROPY
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.20260319 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2809-65-6
- Purity/Analytical Methods: >99.0%
2809-65-6 / 1-chloro-4-prop-1-ynylbenzene
Basic Information
CAS
2809-65-6
Multi CAS
No
Molecular Formula
C9H7Cl
Molecular Weight
150.600000
Exact Mass
150.023628
InChI
InChI=1S/C9H7Cl/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,1H3
InChIKey
CLGJQIMOOUFULP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
Molar refractivity
44
TPSA
0.0000
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
3.7
Consensus LogP
2.93
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-1.71
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
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