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CAS 20012-10-6 SKF-38393 (hydrobromide) molecular structure lightbox
CAS RN: 20012-10-6

SKF-38393 (hydrobromide)

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 100mg In stock Inquiry
Batchno.20250608 25mg In stock Inquiry
Batchno.20260214 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260510 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS20012-10-6
  • Purity/Analytical Methods: >99.0%
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20012-10-6 / 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide

Standard CAS: 20012-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20012-10-6
Multi CAS
No
Molecular Formula
C16H18BrNO2
Molecular Weight
336.220000
Exact Mass
335.052090
SMILES
C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.Br
InChI
InChI=1S/C16H17NO2.BrH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H
InChIKey
INNWVRBZMBCEJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
84.95
TPSA
52.49

LogP / Solubility

WLOGP
2.95
MLOGP
2.62
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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