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CAS 927384-46-1 2-(5-Bromo-2-thienyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine molecular structure lightbox
CAS RN: 927384-46-1

2-(5-Bromo-2-thienyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine

  • Product code: SSC-206537
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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: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 927384-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

927384-46-1 / 3-(5-bromothiophen-2-yl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

Standard CAS: 927384-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
927384-46-1
Multi CAS
No
Molecular Formula
B2C14H10Rn2S
Molecular Weight
329.000000
Exact Mass
327.984110
InChI
InChI=1S/C14H10BBrN2S/c16-13-8-7-12(19-13)15-17-10-5-1-3-9-4-2-6-11(18-15)14(9)10/h1-8,17-18H
InChIKey
POCAQBXWVHDOHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
88.6
TPSA
24.06

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
3.9
Consensus LogP
3.75
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

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
2

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