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CAS 340168-99-2 N,N-BIS((S)-1-PHENYLETHYL) PHTHALAMIC ACID molecular structure lightbox
CAS RN: 340168-99-2

N,N-BIS((S)-1-PHENYLETHYL) PHTHALAMIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS340168-99-2
  • Purity/Analytical Methods: >99.0%
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340168-99-2 / 2-[bis(1-phenylethyl)carbamoyl]benzoic acid

Standard CAS: 340168-99-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340168-99-2
Multi CAS
Yes
Molecular Formula
C24H23NO3
Molecular Weight
373.400000
Exact Mass
373.167794
InChI
InChI=1S/C24H23NO3/c1-17(19-11-5-3-6-12-19)25(18(2)20-13-7-4-8-14-20)23(26)21-15-9-10-16-22(21)24(27)28/h3-18H,1-2H3,(H,27,28)/t17-,18-/m0/s1
InChIKey
NCYIVOVUPRJYNJ-ROUUACIJSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
109.28
TPSA
57.61

LogP / Solubility

WLOGP
5.35
MLOGP
4.73
XLogP3
4.7
Consensus LogP
4.93
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

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

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