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CAS 845909-40-2 (R)-Methyl 3-amino-3-(3-hydroxyphenyl)propanoate hydrochloride molecular structure lightbox
CAS RN: 845909-40-2

(R)-Methyl 3-amino-3-(3-hydroxyphenyl)propanoate hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS845909-40-2
  • Purity/Analytical Methods: >99.0%
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845909-40-2 / methyl 3-amino-3-(3-hydroxyphenyl)propanoate;hydrochloride

Standard CAS: 845909-40-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
845909-40-2
Multi CAS
Yes
Molecular Formula
C10H14CLNO3
Molecular Weight
231.670000
Exact Mass
231.066221
InChI
InChI=1S/C10H13NO3.ClH/c1-14-10(13)6-9(11)7-3-2-4-8(12)5-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m1./s1
InChIKey
ISRJRRVWAPZDPY-SBSPUUFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.92
TPSA
72.55

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.38
Consensus LogP
1.33
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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