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CAS 1016804-06-0 7-broMo-3,4-dihydro-2H-chroMen-4-aMine molecular structure lightbox
CAS RN: 1016804-06-0

7-broMo-3,4-dihydro-2H-chroMen-4-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-002573
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1016804-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

1016804-06-0 / 7-bromo-3,4-dihydro-2H-chromen-4-amine

7-BROMOCHROMAN-4-AMINE | 7-bromo-3,4-dihydro-2H-chromen-4-amine | MFCD09949875

Standard CAS: 1016804-06-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1016804-06-0
Multi CAS
Yes
Molecular Formula
C9H10BrNO
Molecular Weight
228.090000
Exact Mass
226.994580
SMILES
C1COC2=C(C1N)C=CC(=C2)Br
InChI
InChI=1S/C9H10BrNO/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8H,3-4,11H2
InChIKey
XFJNBPPWJRERLH-UHFFFAOYSA-N
Synonyms
7-BROMOCHROMAN-4-AMINE 7-bromo-3,4-dihydro-2H-chromen-4-amine MFCD09949875 7-BROMO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE SCHEMBL12501511

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.18
TPSA
35.25

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
1.6
Consensus LogP
1.93
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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