CAS RN: 18295-64-2
10-Chloro-3-decyne
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 1ml | In stock | Shanghai | Inquiry |
- Product code: ICTC1532
- Purity/Analytical Methods: >97.0%(GC)
18295-64-2 / 10-chlorodec-3-yne
Basic Information
CAS
18295-64-2
Multi CAS
No
Molecular Formula
C10H17Cl
Molecular Weight
172.690000
Exact Mass
172.101878
SMILES
CCC#CCCCCCCCl
InChI
InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2,5-10H2,1H3
InChIKey
BQQIODGRFRSXTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
5
Molar refractivity
51.87
TPSA
0.0000
LogP / Solubility
WLOGP
3.59
MLOGP
3.16
XLogP3
4.1
Consensus LogP
3.62
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.23
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
