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CAS 68187-30-4 DISODIUM COCOYL GLUTAMATE molecular structure lightbox
CAS RN: 68187-30-4

DISODIUM COCOYL GLUTAMATE

  • Product code: BeautyPersonalHomeCare-4490
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68187-30-4 / 14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene

Standard CAS: 68187-30-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68187-30-4
Multi CAS
Yes
Molecular Formula
C14H12O
Molecular Weight
196.240000
Exact Mass
196.088815
InChI
InChI=1S/C14H12O/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-6,12,14H,7-8H2
InChIKey
OEQLVOBTUGIXQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
59.88
TPSA
12.53

LogP / Solubility

WLOGP
3.23
MLOGP
2.84
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

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
3

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