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CAS 312619-40-2 N N-BIS((R)-(+)-1-PHENYLETHYL)PHTHALAMI& molecular structure lightbox
CAS RN: 312619-40-2

N N-BIS((R)-(+)-1-PHENYLETHYL)PHTHALAMI&

  • Product code: SSC-136546
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 312619-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

312619-40-2 / 2-[bis(1-phenylethyl)carbamoyl]benzoic acid

Standard CAS: 312619-40-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312619-40-2
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-/m1/s1
InChIKey
NCYIVOVUPRJYNJ-QZTJIDSGSA-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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