[email protected]
CAS 76421-73-3 MONOCHLOROBIMANE molecular structure lightbox
CAS RN: 76421-73-3

MONOCHLOROBIMANE

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 100mg Out of stock Inquiry
Batchno.20250930 10mg In stock Shanghai Inquiry
Batchno.20260125 1mg In stock Shanghai Inquiry
Batchno.20250616 250mg Out of stock Inquiry
Batchno.20260512 25mg In stock Shanghai Inquiry
Batchno.20260120 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS76421-73-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

76421-73-3 / 7-(chloromethyl)-1,2,6-trimethylpyrazolo[1,2-a]pyrazole-3,5-dione

Standard CAS: 76421-73-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76421-73-3
Multi CAS
Yes
Molecular Formula
C10H11CLN2O2
Molecular Weight
226.660000
Exact Mass
226.050905
InChI
InChI=1S/C10H11ClN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3
InChIKey
SUIPVTCEECPFIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.34
TPSA
42.96

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
1.2
Consensus LogP
0.94
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us