CAS RN: 625-29-6
2-CHLOROPENTANE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260318 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing | 5-7 business days | Inquiry |
- Product code: starshine_CAS625-29-6
- Purity/Analytical Methods: >99.0%
625-29-6 / 2-chloropentane
Basic Information
CAS
625-29-6
Multi CAS
No
Molecular Formula
C5H11CL
Molecular Weight
106.590000
Exact Mass
106.054928
InChI
InChI=1S/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKey
NFRKUDYZEVQXTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
30.22
TPSA
0.0000
LogP / Solubility
WLOGP
2.41
MLOGP
2.11
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-1.66
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
2
