[email protected]
CAS 125306-83-4 CAFENSTROLE molecular structure lightbox
CAS RN: 125306-83-4

CAFENSTROLE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260327 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 10mg Out of stock Inquiry
Batchno.20250802 50mg In stock Inquiry
  • Product code: starshine_CAS125306-83-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

125306-83-4 / N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide

Standard CAS: 125306-83-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
125306-83-4
Multi CAS
No
Molecular Formula
C16H22N4O3S
Molecular Weight
350.400000
Exact Mass
350.141262
SMILES
CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3
InChIKey
HFEJHAAIJZXXRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
89.84
TPSA
85.16

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
2.9
Consensus LogP
2.44
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P280, P318, P319, P405, and P501 P203, P260, P280, P318, P319, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us