CAS RN: 336182-13-9
L-BETA-HOMOTYROSINE HYDROCHLORIDE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS336182-13-9
- Purity/Analytical Methods: >99.0%
336182-13-9 / (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid;hydrochloride
Basic Information
CAS
336182-13-9
Multi CAS
Yes
Molecular Formula
C10H14CLNO3
Molecular Weight
231.670000
Exact Mass
231.066221
InChI
InChI=1S/C10H13NO3.ClH/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7;/h1-4,8,12H,5-6,11H2,(H,13,14);1H/t8-;/m0./s1
InChIKey
HCZHTEBBIGUZTQ-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
59.29
TPSA
83.55
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.16
Consensus LogP
1.11
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-3.31
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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