![CAS 823-69-8 7,7-Dichlorobicyclo[4.1.0]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4314-jpgcontextbwfzdgvyfhjvb3r8mziwmtl8aw1hz2uvanblz3xondmvadm5lzg5mzayodqwmte1ntavrdqzmtquanbnfdrhm2q0mtuxytbknjhjytq5ntbiztuynjc0mgnimjliztdky2q3ytlln2fkm2mym2uxzjgzyza2zjqxymuwmwy.jpeg)
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
823-69-8 / 7,7-dichlorobicyclo[4.1.0]heptane
Basic Information
CAS
823-69-8
Multi CAS
Yes
Molecular Formula
C7H10CL2
Molecular Weight
165.060000
Exact Mass
164.015956
InChI
InChI=1S/C7H10Cl2/c8-7(9)5-3-1-2-4-6(5)7/h5-6H,1-4H2
InChIKey
MBPSCGRETWPLSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Molar refractivity
39.89
TPSA
0.0000
LogP / Solubility
WLOGP
2.98
MLOGP
2.62
XLogP3
3.2
Consensus LogP
2.93
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-1.61
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
2.5
