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CAS 149877-41-8 BIFENAZATE molecular structure lightbox
CAS RN: 149877-41-8

BIFENAZATE

  • Product code: SSC-059792
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 149877-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

149877-41-8 / propan-2-yl N-(2-methoxy-5-phenylanilino)carbamate

Standard CAS: 149877-41-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
149877-41-8
Multi CAS
No
Molecular Formula
C17H20N2O3
Molecular Weight
300.350000
Exact Mass
300.147393
SMILES
CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
InChIKey
VHLKTXFWDRXILV-UHFFFAOYSA-N

Physical Properties

Melting Point
123-125 °C
Boiling Point
Decomposes at 240 °C
Density
1.31 g/cu cm at 25 °C
Physical Description
White solid; [Merck Index] White crystalline solid
Appearance
White crystals Beige crystalline solid (technical grade)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.81
TPSA
59.59

LogP / Solubility

WLOGP
3.82
MLOGP
3.38
XLogP3
4.2
Consensus LogP
3.8
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning Danger
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H317 (98.2%): 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 P260, P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, P391, and P501 P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 P260, P264, P264+P265, P270, P273, P305+P351+P338, P319, P337+P317, P391, and P501

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