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CAS 912906-92-4 CHEMBRDG-BB 4024352 molecular structure lightbox
CAS RN: 912906-92-4

CHEMBRDG-BB 4024352

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS912906-92-4
  • Purity/Analytical Methods: >99.0%
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912906-92-4 / 1-(4-bromophenyl)-N-methylpropan-1-amine

Standard CAS: 912906-92-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
912906-92-4
Multi CAS
Yes
Molecular Formula
BC10H14Rn
Molecular Weight
228.130000
Exact Mass
227.030960
InChI
InChI=1S/C10H14BrN/c1-3-10(12-2)8-4-6-9(11)7-5-8/h4-7,10,12H,3H2,1-2H3
InChIKey
WGEDWIJMOODFIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.23
TPSA
12.03

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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