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CAS 1226776-91-5 3-Methoxy-4-morpholinoaniline Dihydrochloride molecular structure lightbox
CAS RN: 1226776-91-5

3-Methoxy-4-morpholinoaniline Dihydrochloride

  • Product code: SSC-025786
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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: 5g, 0.1g, 0.25g, 0.5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1226776-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Shanghai Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
0.5g -- 0 Out of Stock Beijing Inquiry
0.5g >95% 0 Out of Stock Shenzhen Inquiry
1g -- 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1226776-91-5 / 3-methoxy-4-morpholin-4-ylaniline;dihydrochloride

Standard CAS: 1226776-91-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1226776-91-5
Multi CAS
No
Molecular Formula
C11H18Cl2N2O2
Molecular Weight
281.180000
Exact Mass
280.074533
SMILES
COC1=C(C=CC(=C1)N)N2CCOCC2.Cl.Cl
InChI
InChI=1S/C11H16N2O2.2ClH/c1-14-11-8-9(12)2-3-10(11)13-4-6-15-7-5-13;;/h2-3,8H,4-7,12H2,1H3;2*1H
InChIKey
ODXRLVZVGWFQIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.93
TPSA
47.72

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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