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CAS 213990-65-9 (2R)-2-AMINO-2-(2-METHOXYPHENYL)ETHAN-1-OL molecular structure lightbox
CAS RN: 213990-65-9

(2R)-2-AMINO-2-(2-METHOXYPHENYL)ETHAN-1-OL

Product Availability

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250924 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 100mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250316 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS213990-65-9
  • Purity/Analytical Methods: >99.0%
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213990-65-9 / (2R)-2-amino-2-(2-methoxyphenyl)ethanol

Standard CAS: 213990-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213990-65-9
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
COC1=CC=CC=C1[C@H](CO)N
InChI
InChI=1S/C9H13NO2/c1-12-9-5-3-2-4-7(9)8(10)6-11/h2-5,8,11H,6,10H2,1H3/t8-/m0/s1
InChIKey
XOHKELIJPISIBB-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.01
TPSA
55.48

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.1
Consensus LogP
0.46
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.25

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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