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CAS 103889-84-5 (R)-2-METHOXY-PHENYLGLYCINE molecular structure lightbox
CAS RN: 103889-84-5

(R)-2-METHOXY-PHENYLGLYCINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250927 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS103889-84-5
  • Purity/Analytical Methods: >99.0%
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103889-84-5 / (2R)-2-amino-2-(2-methoxyphenyl)acetic acid

(R)-2-AMINO-2-(2-METHOXYPHENYL)ACETIC ACID | (2R)-2-amino-2-(2-methoxyphenyl)acetic acid | (R)-2-Methoxy-phenylglycine

Standard CAS: 103889-84-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103889-84-5
Multi CAS
Yes
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
SMILES
COC1=CC=CC=C1[C@H](C(=O)O)N
InChI
InChI=1S/C9H11NO3/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey
DQSACLYOIBPCJU-MRVPVSSYSA-N
Synonyms
(R)-2-AMINO-2-(2-METHOXYPHENYL)ACETIC ACID (2R)-2-amino-2-(2-methoxyphenyl)acetic acid (R)-2-Methoxy-phenylglycine (R)-2-Methoxyphenylglycine MFCD07371750

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.56
TPSA
72.55

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
-1.7
Consensus LogP
-0.08
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.27

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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