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CAS 305-77-1 2-AMINO-6-HYDROXY-HEXANOIC ACID molecular structure lightbox
CAS RN: 305-77-1

2-AMINO-6-HYDROXY-HEXANOIC ACID

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS305-77-1
  • Purity/Analytical Methods: >99.0%
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305-77-1 / (2S)-2-amino-6-hydroxyhexanoic acid

Standard CAS: 305-77-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
305-77-1
Multi CAS
Yes
Molecular Formula
C6H13NO3
Molecular Weight
147.170000
Exact Mass
147.089543
InChI
InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
InChIKey
OLUWXTFAPJJWPL-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.55
TPSA
83.55

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.39
XLogP3
-2.8
Consensus LogP
-1.21
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.93

Drug-likeness / Medicinal Chemistry

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

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