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CAS 78761-37-2 (-)-O,O’-DIBENZOYL-L-TARTARIC ACID MONO(DIMETHYLAMIDE) molecular structure lightbox
CAS RN: 78761-37-2

(-)-O,O’-DIBENZOYL-L-TARTARIC ACID MONO(DIMETHYLAMIDE)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 50g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS78761-37-2
  • Purity/Analytical Methods: >99.0%
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78761-37-2 / 2,3-dibenzoyloxy-4-(dimethylamino)-4-oxobutanoic acid

Standard CAS: 78761-37-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78761-37-2
Multi CAS
Yes
Molecular Formula
C20H19NO7
Molecular Weight
385.400000
Exact Mass
385.116152
InChI
InChI=1S/C20H19NO7/c1-21(2)17(22)15(27-19(25)13-9-5-3-6-10-13)16(18(23)24)28-20(26)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3,(H,23,24)
InChIKey
LINPSOODYGSBAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
97.62
TPSA
110.21

LogP / Solubility

WLOGP
1.61
MLOGP
1.44
XLogP3
2.5
Consensus LogP
1.85
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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