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CAS 64872-77-1 Butoconazole Nitrate molecular structure lightbox
CAS RN: 64872-77-1

Butoconazole Nitrate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250518 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250318 100mg In stock Shanghai Inquiry
Batchno.20250406 1g Out of stock Inquiry
Batchno.20260510 250mg In stock Shenzhen Inquiry
  • Product code: SSC-174549
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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: 10g
  • Available purity: ≥97%
  • 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 64872-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

64872-77-1 / 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid

Standard CAS: 64872-77-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64872-77-1
Multi CAS
Yes
Molecular Formula
C19H18CL3N3O3S
Molecular Weight
474.800000
Exact Mass
473.013446
InChI
InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)
InChIKey
ZHPWRQIPPNZNML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
116.89
TPSA
81.19

LogP / Solubility

WLOGP
6.29
MLOGP
5.57
XLogP3
6.29
Consensus LogP
6.05
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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