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CAS 1036990-31-4 N-(3-bromophenyl)tetrahydro-2H-pyran-4-amine molecular structure lightbox
CAS RN: 1036990-31-4

N-(3-bromophenyl)tetrahydro-2H-pyran-4-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-005283
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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: 1g
  • 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 1036990-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1036990-31-4 / N-(3-bromophenyl)oxan-4-amine

N-(3-bromophenyl)oxan-4-amine | MFCD12087567 | N-(3-Bromophenyl)tetrahydro-2H-pyran-4-amine

Standard CAS: 1036990-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1036990-31-4
Multi CAS
No
Molecular Formula
C11H14BrNO
Molecular Weight
256.140000
Exact Mass
255.025880
SMILES
C1COCCC1NC2=CC(=CC=C2)Br
InChI
InChI=1S/C11H14BrNO/c12-9-2-1-3-11(8-9)13-10-4-6-14-7-5-10/h1-3,8,10,13H,4-7H2
InChIKey
WQWUSTYJQOYFIF-UHFFFAOYSA-N
Synonyms
N-(3-bromophenyl)oxan-4-amine MFCD12087567 N-(3-Bromophenyl)tetrahydro-2H-pyran-4-amine SCHEMBL3323461 WQWUSTYJQOYFIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.61
TPSA
21.26

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

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

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