CAS RN: 67287-39-2
R(+)-6-CHLORO-7,8-DIHYDROXY-1-PHENYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE HYDROBROMIDE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250519 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260325 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260414 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260417 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250128 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250323 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS67287-39-2
- Purity/Analytical Methods: >99.0%
67287-39-2 / 9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
Basic Information
CAS
67287-39-2
Multi CAS
Yes
Molecular Formula
C16H17BRCLNO2
Molecular Weight
370.700000
Exact Mass
369.013120
InChI
InChI=1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H
InChIKey
RMIJGBMRNYUZRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
89.96
TPSA
52.49
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
3.61
Consensus LogP
3.47
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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
Yes
Log Kp (skin permeation)
-2.42
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
No
Synthetic Accessibility
3
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