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CAS 33744-74-0 (-)-MONO-(1R)-MENTHYL PHTHALATE molecular structure lightbox
CAS RN: 33744-74-0

(-)-MONO-(1R)-MENTHYL PHTHALATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS33744-74-0
  • Purity/Analytical Methods: >99.0%
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33744-74-0 / 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid

Standard CAS: 33744-74-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33744-74-0
Multi CAS
Yes
Molecular Formula
C18H24O4
Molecular Weight
304.400000
Exact Mass
304.167459
InChI
InChI=1S/C18H24O4/c1-11(2)13-9-8-12(3)10-16(13)22-18(21)15-7-5-4-6-14(15)17(19)20/h4-7,11-13,16H,8-10H2,1-3H3,(H,19,20)/t12-,13+,16-/m1/s1
InChIKey
LJFJPDHXAWVDSA-DVOMOZLQSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.95
TPSA
63.6

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
4.8
Consensus LogP
4.11
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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