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CAS 85-79-0 Dibucaine, Analytical reference molecular structure lightbox
CAS RN: 85-79-0

Dibucaine, Analytical reference

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 1g In stock Shanghai Inquiry
Batchno.20250712 25g In stock Shanghai Inquiry
Batchno.20250919 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260210 5g In stock Inquiry
  • Product code: SSC-192839
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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: 25g
  • 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 85-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

85-79-0 / 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide

Standard CAS: 85-79-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85-79-0
Multi CAS
Yes
Molecular Formula
C20H29N3O2
Molecular Weight
343.500000
Exact Mass
343.225977
InChI
InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKey
PUFQVTATUTYEAL-UHFFFAOYSA-N

Physical Properties

Melting Point
99-101 °C (HCl salt) 64 °C Melting point: 62-65 °C 99 - 101 °C (hydrochloride salt)
Physical Description
Solid
Appearance
Colorless or almost colorless powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102.27
TPSA
54.46

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
4.4
Consensus LogP
3.66
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

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

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