[email protected]
CAS 608-22-0 2,3-Dibromoaniline molecular structure lightbox
CAS RN: 608-22-0

2,3-Dibromoaniline

  • Product code: SSC-169455
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 608-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

608-22-0 / 2,3-dibromoaniline

Standard CAS: 608-22-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
608-22-0
Multi CAS
Yes
Molecular Formula
C6H5BR2N
Molecular Weight
250.920000
Exact Mass
250.876820
InChI
InChI=1S/C6H5Br2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChIKey
MNRQXYFZAROREY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.25
TPSA
26.02

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.6
Consensus LogP
2.62
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

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
1.5

Customers Also Viewed

Get In Touch

Contact Us