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CAS 7257-25-2 7,8,9,10-tetrahydrocyclohepta[b]indol-6(5H)-one molecular structure lightbox
CAS RN: 7257-25-2

7,8,9,10-tetrahydrocyclohepta[b]indol-6(5H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251202 50mg / 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7257-25-2
  • Purity/Analytical Methods: >99.0%
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7257-25-2 / 7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one

Standard CAS: 7257-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7257-25-2
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
InChI
InChI=1S/C13H13NO/c15-12-8-4-2-6-10-9-5-1-3-7-11(9)14-13(10)12/h1,3,5,7,14H,2,4,6,8H2
InChIKey
PHIOOOPODSRCSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.31
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.18
TPSA
32.86

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
3
Consensus LogP
2.93
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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