CAS RN: 629-06-1
1-Chloroheptane
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-172286
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25ml
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25ml | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
629-06-1 / 1-chloroheptane
Basic Information
CAS
629-06-1
Multi CAS
No
Molecular Formula
C7H15CL
Molecular Weight
134.650000
Exact Mass
134.086228
InChI
InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
DZMDPHNGKBEVRE-UHFFFAOYSA-N
Physical Properties
Physical Description
1-chloroheptane is a colorless liquid. Insoluble in water.
Colorless liquid; [CAMEO]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
Molar refractivity
39.48
TPSA
0.0000
LogP / Solubility
WLOGP
3.2
MLOGP
2.8
XLogP3
4.2
Consensus LogP
3.4
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.79
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)
-1.27
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
