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CAS 106910-81-0 4-BENZYL-5-OXO-MORPHOLINE-3-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 106910-81-0

4-BENZYL-5-OXO-MORPHOLINE-3-CARBOXYLIC ACID METHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 1g In stock Shanghai Inquiry
  • Product code: SSC-008401
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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, 10g, 5g, 0.25g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 106910-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
10g >97% 3 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

106910-81-0 / methyl 4-benzyl-5-oxomorpholine-3-carboxylate

methyl 4-benzyl-5-oxomorpholine-3-carboxylate | DTXSID30543339 | RefChem:355592

Standard CAS: 106910-81-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106910-81-0
Multi CAS
Yes
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
SMILES
COC(=O)C1COCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO4/c1-17-13(16)11-8-18-9-12(15)14(11)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
UTUDPLWXJNKTNP-UHFFFAOYSA-N
Synonyms
methyl 4-benzyl-5-oxomorpholine-3-carboxylate DTXSID30543339 RefChem:355592 DTXCID20494124 Methyl 4-Benzyl-5-oxo-morpholine-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.62
TPSA
55.84

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
0.8
Consensus LogP
0.64
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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