[email protected]
CAS 20644-12-6 1,12-DICARBADODECABORANE(12) molecular structure lightbox
CAS RN: 20644-12-6

1,12-DICARBADODECABORANE(12)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: LIND888198
GET A QUOTE

20644-12-6 / 1,12-DICARBADODECABORANE(12)

Standard CAS: 20644-12-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20644-12-6
Multi CAS
No
Molecular Formula
C2H2B10
Molecular Weight
134.200000
Exact Mass
134.115965
SMILES
[B]1[B][B][B]C2[B][B]C([B]2)[B][B][B]1
InChI
InChI=1S/C2H2B10/c3-1-4-5-2(3)7-9-11-12-10-8-6-1/h1-2H
InChIKey
CFNUZRMHHJZBOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Molar refractivity
65.04
TPSA
0.0000

LogP / Solubility

WLOGP
-3.13
MLOGP
-2.76
XLogP3
-3.13
Consensus LogP
-3.01
Log S (ESOL)
1.3
Class (ESOL)
Highly soluble
Log S (Ali)
1.6
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.07
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76

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
6

Customers Also Viewed

Get In Touch

Contact Us