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CAS 1383478-94-1 N-[4-[(DiMethylaMino)sulfonyl]phenyl]-4-(hydroxydiphenylMethyl)-1-piperidinecarbothioaMide molecular structure lightbox
CAS RN: 1383478-94-1

N-[4-[(DiMethylaMino)sulfonyl]phenyl]-4-(hydroxydiphenylMethyl)-1-piperidinecarbothioaMide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1383478-94-1
  • Purity/Analytical Methods: >99.0%
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1383478-94-1 / N-[4-(dimethylsulfamoyl)phenyl]-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide

Standard CAS: 1383478-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1383478-94-1
Multi CAS
No
Molecular Formula
C27H31N3O3S2
Molecular Weight
509.700000
Exact Mass
509.180684
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C27H31N3O3S2/c1-29(2)35(32,33)25-15-13-24(14-16-25)28-26(34)30-19-17-23(18-20-30)27(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,31H,17-20H2,1-2H3,(H,28,34)
InChIKey
VAUKHARIAMDAGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
143.72
TPSA
72.88

LogP / Solubility

WLOGP
4.28
MLOGP
3.81
XLogP3
3.9
Consensus LogP
4
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.83
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
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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