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CAS 1011301-29-3 Tenovin 6 (Hydrochloride) molecular structure lightbox
CAS RN: 1011301-29-3

Tenovin 6 (Hydrochloride)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1011301-29-3
  • Purity/Analytical Methods: >99.0%
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1011301-29-3 / 4-tert-butyl-N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide;hydrochloride

Standard CAS: 1011301-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1011301-29-3
Multi CAS
Yes
Molecular Formula
C25H35ClN4O2S
Molecular Weight
491.100000
Exact Mass
490.216925
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C.Cl
InChI
InChI=1S/C25H34N4O2S.ClH/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5;/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32);1H
InChIKey
UBNCTIDXQDCEPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
143.55
TPSA
73.47

LogP / Solubility

WLOGP
5.2
MLOGP
4.61
XLogP3
5.2
Consensus LogP
5
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
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)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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