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CAS 106518-44-9 4-(Dibenzylamino)butanoic acid molecular structure lightbox
CAS RN: 106518-44-9

4-(Dibenzylamino)butanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008157
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 106518-44-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry

106518-44-9 / 4-(dibenzylamino)butanoic acid

4-(Dibenzylamino)butanoic Acid | DTXSID00562390 | RefChem:288787

Standard CAS: 106518-44-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106518-44-9
Multi CAS
No
Molecular Formula
C18H21NO2
Molecular Weight
283.400000
Exact Mass
283.157229
SMILES
C1=CC=C(C=C1)CN(CCCC(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C18H21NO2/c20-18(21)12-7-13-19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,21)
InChIKey
RHPOFVFYZREVEF-UHFFFAOYSA-N
Synonyms
4-(Dibenzylamino)butanoic Acid DTXSID00562390 RefChem:288787 DTXCID60513166 MFCD00889235

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.87
TPSA
40.54

LogP / Solubility

WLOGP
3.55
MLOGP
3.14
XLogP3
0.8
Consensus LogP
2.5
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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