[email protected]
CAS 104810-48-2 Tinuvin-1130 molecular structure lightbox
CAS RN: 104810-48-2

Tinuvin-1130

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS104810-48-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

104810-48-2 / methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate

Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester | DTXSID9036488 | 2-(3'-tert-butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole

Standard CAS: 104810-48-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104810-48-2
Multi CAS
Yes
Molecular Formula
C20H23N3O3
Molecular Weight
353.400000
Exact Mass
353.173942
SMILES
CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
InChIKey
UJRDRFZCRQNLJM-UHFFFAOYSA-N
Synonyms
Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester DTXSID9036488 2-(3'-tert-butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole RefChem:1060963 DTXCID7016488

Physical Properties

Physical Description
Liquid, Other Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.57
TPSA
77.24

LogP / Solubility

WLOGP
3.53
MLOGP
3.12
XLogP3
4.7
Consensus LogP
3.78
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37

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)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (96.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H411 (96.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H413 (99.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 P273, and P501

Customers Also Viewed

Get In Touch

Contact Us