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CAS 22490-86-4 3-AMINO-3-(3-METHOXY-PHENYL)-PROPAN-1-OL molecular structure lightbox
CAS RN: 22490-86-4

3-AMINO-3-(3-METHOXY-PHENYL)-PROPAN-1-OL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260310 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-109989
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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: 0.1g
  • 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 22490-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Hong Kong Inquiry

22490-86-4 / 3-amino-3-(3-methoxyphenyl)propan-1-ol

Standard CAS: 22490-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22490-86-4
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
SMILES
COC1=CC=CC(=C1)C(CCO)N
InChI
InChI=1S/C10H15NO2/c1-13-9-4-2-3-8(7-9)10(11)5-6-12/h2-4,7,10,12H,5-6,11H2,1H3
InChIKey
LZAZWHZPRDEQQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.63
TPSA
55.48

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
0.5
Consensus LogP
0.84
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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