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CAS 1186663-63-7 4-(4-Bromophenyl)morpholine Hydrochloride molecular structure lightbox
CAS RN: 1186663-63-7

4-(4-Bromophenyl)morpholine Hydrochloride

  • Product code: SSC-018593
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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: 5g, 25g
  • Available purity: >97%
  • 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 1186663-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

1186663-63-7 / 4-(4-bromophenyl)morpholine;hydrochloride

4-(4-BROMOPHENYL)MORPHOLINE HYDROCHLORIDE | 4-(4-Bromophenyl)morpholine, HCl | 4-(4-bromophenyl)morpholine;hydrochloride

Standard CAS: 1186663-63-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186663-63-7
Multi CAS
Yes
Molecular Formula
C10H13BrClNO
Molecular Weight
278.570000
Exact Mass
276.986900
SMILES
C1COCCN1C2=CC=C(C=C2)Br.Cl
InChI
InChI=1S/C10H12BrNO.ClH/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;/h1-4H,5-8H2;1H
InChIKey
GBGVMVYEGPLMBJ-UHFFFAOYSA-N
Synonyms
4-(4-BROMOPHENYL)MORPHOLINE HYDROCHLORIDE 4-(4-Bromophenyl)morpholine, HCl 4-(4-bromophenyl)morpholine;hydrochloride MFCD12828695 4-(4-BROMOPHENYL)MORPHOLINEHYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.42
TPSA
12.47

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-2.5

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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