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CAS 214915-72-7 1H-INDOLE-3-ETHANOL,6-BROMO- molecular structure lightbox
CAS RN: 214915-72-7

1H-INDOLE-3-ETHANOL,6-BROMO-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-103034
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 214915-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

214915-72-7 / 2-(6-bromo-1H-indol-3-yl)ethanol

Standard CAS: 214915-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214915-72-7
Multi CAS
No
Molecular Formula
C10H10BrNO
Molecular Weight
240.100000
Exact Mass
238.994580
SMILES
C1=CC2=C(C=C1Br)NC=C2CCO
InChI
InChI=1S/C10H10BrNO/c11-8-1-2-9-7(3-4-13)6-12-10(9)5-8/h1-2,5-6,12-13H,3-4H2
InChIKey
ANIPJGAEJCDVFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
56.79
TPSA
36.02

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
2.7
Consensus LogP
2.45
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
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
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

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

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