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CAS 2060610-78-6 (R)-Methyl 2-amino-2-(5-fluoro-2-hydroxyphenyl)acetate hydrochloride molecular structure lightbox
CAS RN: 2060610-78-6

(R)-Methyl 2-amino-2-(5-fluoro-2-hydroxyphenyl)acetate hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2060610-78-6
  • Purity/Analytical Methods: >99.0%
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2060610-78-6 / methyl (2R)-2-amino-2-(5-fluoro-2-hydroxyphenyl)acetate;hydrochloride

Standard CAS: 2060610-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2060610-78-6
Multi CAS
No
Molecular Formula
C9H11ClFNO3
Molecular Weight
235.640000
Exact Mass
235.041149
SMILES
COC(=O)[C@@H](C1=C(C=CC(=C1)F)O)N.Cl
InChI
InChI=1S/C9H10FNO3.ClH/c1-14-9(13)8(11)6-4-5(10)2-3-7(6)12;/h2-4,8,12H,11H2,1H3;1H/t8-;/m1./s1
InChIKey
KZTDCUJSCXIPMX-DDWIOCJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.26
TPSA
72.55

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1.13
Consensus LogP
1.09
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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