[email protected]
CAS 113158-40-0 Fenoxaprop-P molecular structure lightbox
CAS RN: 113158-40-0

Fenoxaprop-P

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 20mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 100mg In stock Inquiry
Batchno.20250916 25mg Out of stock Inquiry
  • Product code: starshine_CAS113158-40-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

113158-40-0 / (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid

Fenoxaprop | Fenoxaprop [ANSI] | UNII-ZMB74WE9LB

Standard CAS: 113158-40-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113158-40-0
Multi CAS
Yes
Molecular Formula
C16H12ClNO5
Molecular Weight
333.720000
Exact Mass
333.040400
SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKey
MPPOHAUSNPTFAJ-SECBINFHSA-N
Synonyms
Fenoxaprop Fenoxaprop [ANSI] UNII-ZMB74WE9LB ZMB74WE9LB HOE 53022

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.26
TPSA
81.79

LogP / Solubility

WLOGP
4.13
MLOGP
3.65
XLogP3
3.4
Consensus LogP
3.73
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (57.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H373 (35.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (95.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501 P203, P260, P261, P272, P273, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P391, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us