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CAS 512170-32-0 N-[(1R)-2′-aMino[1,1′-binaphthalen]-2-yl]-4-Methyl-BenzenesulfonaMide molecular structure lightbox
CAS RN: 512170-32-0

N-[(1R)-2′-aMino[1,1′-binaphthalen]-2-yl]-4-Methyl-BenzenesulfonaMide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS512170-32-0
  • Purity/Analytical Methods: >99.0%
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512170-32-0 / N-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]-4-methylbenzenesulfonamide

Standard CAS: 512170-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
512170-32-0
Multi CAS
No
Molecular Formula
C27H22N2O2S
Molecular Weight
438.500000
Exact Mass
438.140199
InChI
InChI=1S/C27H22N2O2S/c1-18-10-14-21(15-11-18)32(30,31)29-25-17-13-20-7-3-5-9-23(20)27(25)26-22-8-4-2-6-19(22)12-16-24(26)28/h2-17,29H,28H2,1H3
InChIKey
QVXFDVMJNPTVRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
26
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
133.29
TPSA
72.19

LogP / Solubility

WLOGP
6.35
MLOGP
5.62
XLogP3
6.3
Consensus LogP
6.09
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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