[email protected]
CAS 59-46-1 Procaine molecular structure lightbox
CAS RN: 59-46-1

Procaine

  • Product code: SSC-167348
GET A QUOTE
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: 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 59-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

59-46-1 / 2-(diethylamino)ethyl 4-aminobenzoate

Standard CAS: 59-46-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59-46-1
Multi CAS
Yes
Molecular Formula
C13H20N2O2
Molecular Weight
236.310000
Exact Mass
236.152478
InChI
InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKey
MFDFERRIHVXMIY-UHFFFAOYSA-N

Physical Properties

Melting Point
61 °C Slightly bitter taste; mp: 51 °C; needles from aq alcohol /Dihydrate/
Physical Description
Solid
Appearance
Anhydrous plates, tables from ligroin or ether
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.92
TPSA
55.56

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us