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CAS 477250-51-4 D-beta-hoMotryptophan-HCl molecular structure lightbox
CAS RN: 477250-51-4

D-beta-hoMotryptophan-HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS477250-51-4
  • Purity/Analytical Methods: >99.0%
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477250-51-4 / (3S)-3-amino-4-(1H-indol-3-yl)butanoic acid;hydrochloride

Standard CAS: 477250-51-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
477250-51-4
Multi CAS
Yes
Molecular Formula
C12H15CLN2O2
Molecular Weight
254.710000
Exact Mass
254.082205
InChI
InChI=1S/C12H14N2O2.ClH/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11;/h1-4,7,9,14H,5-6,13H2,(H,15,16);1H/t9-;/m0./s1
InChIKey
XALSUNLRNHITKL-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
69.48
TPSA
79.11

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

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

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