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CAS 69179-66-4 (R)-2-Amino-2-(4-aminophenyl)acetic acid dihydrochloride molecular structure lightbox
CAS RN: 69179-66-4

(R)-2-Amino-2-(4-aminophenyl)acetic acid dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS69179-66-4
  • Purity/Analytical Methods: >99.0%
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69179-66-4 / (2R)-2-amino-2-(4-aminophenyl)acetic acid;dihydrochloride

Standard CAS: 69179-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69179-66-4
Multi CAS
Yes
Molecular Formula
C8H12CL2N2O2
Molecular Weight
239.100000
Exact Mass
238.027583
InChI
InChI=1S/C8H10N2O2.2ClH/c9-6-3-1-5(2-4-6)7(10)8(11)12;;/h1-4,7H,9-10H2,(H,11,12);2*1H/t7-;;/m1../s1
InChIKey
BLWAMKFMQILIGN-XCUBXKJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
59.91
TPSA
89.34

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

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

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