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CAS 443776-49-6 BC 11 hydrobroMide molecular structure lightbox
CAS RN: 443776-49-6

BC 11 hydrobroMide

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8 package records7 with current stock2 grade groups
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Batchno.20260311 100mg In stock Inquiry
Batchno.20250713 10mg In stock Inquiry
Batchno.20250728 25mg In stock Inquiry
Batchno.20250815 50mg In stock Inquiry
Batchno.20250319 5mg In stock Inquiry
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Batchno.20260324 100mg Out of stock Inquiry
Batchno.20250205 25mg In stock Shanghai Inquiry
Batchno.20260119 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS443776-49-6
  • Purity/Analytical Methods: >99.0%
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443776-49-6 / [4-(carbamimidoylsulfanylmethyl)phenyl]boronic acid;hydrobromide

Standard CAS: 443776-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
443776-49-6
Multi CAS
Yes
Molecular Formula
B2C8H12O2Rn2S
Molecular Weight
290.980000
Exact Mass
289.989590
InChI
InChI=1S/C8H11BN2O2S.BrH/c10-8(11)14-5-6-1-3-7(4-2-6)9(12)13;/h1-4,12-13H,5H2,(H3,10,11);1H
InChIKey
PAFZAMOVHIRQOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
69.8
TPSA
90.33

LogP / Solubility

WLOGP
0.07
MLOGP
0.07
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.44

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

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