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CAS 67287-53-0 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine molecular structure lightbox
CAS RN: 67287-53-0

6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS67287-53-0
  • Purity/Analytical Methods: >99.0%
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67287-53-0 / 9-chloro-7,8-dimethoxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Standard CAS: 67287-53-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67287-53-0
Multi CAS
Yes
Molecular Formula
C19H22CLNO3
Molecular Weight
347.800000
Exact Mass
347.128821
InChI
InChI=1S/C19H22ClNO3/c1-22-13-6-4-12(5-7-13)16-11-21-9-8-14-15(16)10-17(23-2)19(24-3)18(14)20/h4-7,10,16,21H,8-9,11H2,1-3H3
InChIKey
MYTZRTXHMVXREA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.97
TPSA
39.72

LogP / Solubility

WLOGP
3.64
MLOGP
3.22
XLogP3
3.4
Consensus LogP
3.42
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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