[email protected]
CAS 21635-90-5 Tetracyclo[6.2.1.13,6.02,7]dodec-4-ene molecular structure lightbox
CAS RN: 21635-90-5

Tetracyclo[6.2.1.13,6.02,7]dodec-4-ene

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250515 1g In stock Inquiry
Batchno.20250702 200mg In stock Inquiry
Batchno.20250713 5g In stock Inquiry
  • Product code: SSC-103665
GET A QUOTE
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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21635-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

21635-90-5 / tetracyclo[6.2.1.13,6.02,7]dodec-4-ene

Standard CAS: 21635-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21635-90-5
Multi CAS
No
Molecular Formula
C12H16
Molecular Weight
160.250000
Exact Mass
160.125201
SMILES
C1CC2CC1C3C2C4CC3C=C4
InChI
InChI=1S/C12H16/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-2,7-12H,3-6H2
InChIKey
XBFJAVXCNXDMBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Molar refractivity
48.55
TPSA
0.0000

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
3.5
Consensus LogP
2.95
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-1.67

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
9

Customers Also Viewed

Get In Touch

Contact Us