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CAS 2788-28-5 D(+)-CARNITINENITRILE CHLORIDE molecular structure lightbox
CAS RN: 2788-28-5

D(+)-CARNITINENITRILE CHLORIDE

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 100g In stock Inquiry
Batchno.20260524 25g In stock Inquiry
Batchno.20260513 5g In stock Inquiry
Batchno.20251022 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS2788-28-5
  • Purity/Analytical Methods: >99.0%
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2788-28-5 / [(2S)-3-cyano-2-hydroxypropyl]-trimethylazanium chloride

Standard CAS: 2788-28-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2788-28-5
Multi CAS
Yes
Molecular Formula
C7H15ClN2O
Molecular Weight
178.660000
Exact Mass
178.087291
InChI
InChI=1S/C7H15N2O.ClH/c1-9(2,3)6-7(10)4-5-8;/h7,10H,4,6H2,1-3H3;1H/q+1;/p-1/t7-;/m1./s1
InChIKey
ZOYKKWXSDFNANU-OGFXRTJISA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.14
TPSA
44.02

LogP / Solubility

WLOGP
-3.03
MLOGP
-2.67
XLogP3
-3.03
Consensus LogP
-2.91
Log S (ESOL)
1.16
Class (ESOL)
Highly soluble
Log S (Ali)
1.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.33
Class (SILICOS-IT)
Highly 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)
-5.96

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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