[email protected]
CAS 312955-00-3 ANTI-7-BROMO-2-BENZYL-2-AZABICYCLO[2.2.1]HEPTANE molecular structure lightbox
CAS RN: 312955-00-3

ANTI-7-BROMO-2-BENZYL-2-AZABICYCLO[2.2.1]HEPTANE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS312955-00-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

312955-00-3 / (1R,4R,7R)-2-benzyl-7-bromo-2-azabicyclo[2.2.1]heptane

Standard CAS: 312955-00-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312955-00-3
Multi CAS
Yes
Molecular Formula
BC13H16Rn
Molecular Weight
266.180000
Exact Mass
265.046610
InChI
InChI=1S/C13H16BrN/c14-13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12-,13-/m1/s1
InChIKey
IOFSXPYIRVBNDN-JHJVBQTASA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.08
TPSA
3.24

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us