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CAS 67451-81-4 3-MORPHOLIN-4-YLMETHYLBENZOIC ACID molecular structure lightbox
CAS RN: 67451-81-4

3-MORPHOLIN-4-YLMETHYLBENZOIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 1g In stock Shanghai Inquiry
Batchno.20250210 250mg In stock Shanghai Inquiry
Batchno.20250505 5g In stock Shanghai Inquiry
  • Product code: SSC-177136
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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: 5g, 1g, 10g, 0.25g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 67451-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 4 In Stock Shenzhen Inquiry
1g >95% 3 In Stock Shanghai Inquiry
10g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Hong Kong Inquiry

67451-81-4 / 3-(morpholin-4-ium-4-ylmethyl)benzoate

Standard CAS: 67451-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67451-81-4
Multi CAS
Yes
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
InChI
InChI=1S/C12H15NO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8H,4-7,9H2,(H,14,15)
InChIKey
LZLRLAYVCUNAEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.99
TPSA
53.8

LogP / Solubility

WLOGP
-1.53
MLOGP
-1.35
XLogP3
-1.5
Consensus LogP
-1.46
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.16

Drug-likeness / Medicinal Chemistry

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

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