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CAS 327064-63-1 Ac-D-Ala(Cl)-OMe molecular structure lightbox
CAS RN: 327064-63-1

Ac-D-Ala(Cl)-OMe

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS327064-63-1
  • Purity/Analytical Methods: >99.0%
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327064-63-1 / methyl (2S)-2-acetamido-3-chloropropanoate

Standard CAS: 327064-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
327064-63-1
Multi CAS
No
Molecular Formula
C6H10CLNO3
Molecular Weight
179.600000
Exact Mass
179.034921
InChI
InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKey
IGKDMFMKAAPDDN-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.34
TPSA
55.4

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.09
XLogP3
0.1
Consensus LogP
-0.03
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-3.88

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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