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CAS 350-12-9 sulbentine molecular structure lightbox
CAS RN: 350-12-9

sulbentine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250317 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS350-12-9
  • Purity/Analytical Methods: >99.0%
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350-12-9 / 3,5-dibenzyl-1,3,5-thiadiazinane-2-thione

Standard CAS: 350-12-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
350-12-9
Multi CAS
Yes
Molecular Formula
C17H18N2S2
Molecular Weight
314.500000
Exact Mass
314.091141
InChI
InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKey
QFVAWNPSRQWSDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
93.89
TPSA
6.48

LogP / Solubility

WLOGP
3.94
MLOGP
3.48
XLogP3
4.3
Consensus LogP
3.91
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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