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CAS 68938-01-2 Deoxyribonucleic acid sodium salt molecular structure lightbox
CAS RN: 68938-01-2

Deoxyribonucleic acid sodium salt

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260413 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
  • Product code: starshine_CAS68938-01-2
  • Purity/Analytical Methods: >99.0%
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68938-01-2 / (2R)-3-(3-bromophenyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanoic acid

Standard CAS: 68938-01-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68938-01-2
Multi CAS
Yes
Molecular Formula
BC17H15NO3Rf
Molecular Weight
380.200000
Exact Mass
379.021930
InChI
InChI=1S/C17H15BrFNO3/c18-13-3-1-2-12(8-13)9-15(17(22)23)20-16(21)10-11-4-6-14(19)7-5-11/h1-8,15H,9-10H2,(H,20,21)(H,22,23)/t15-/m1/s1
InChIKey
GXZCYECDYOBPGH-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
87.52
TPSA
66.4

LogP / Solubility

WLOGP
2.94
MLOGP
2.61
XLogP3
3.5
Consensus LogP
3.02
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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