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CAS 1141669-59-1 4-Benzyl-2-hoMoMorpholinecarboxylic Acid molecular structure lightbox
CAS RN: 1141669-59-1

4-Benzyl-2-hoMoMorpholinecarboxylic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014037
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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: 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 1141669-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 3 In Stock Shanghai Inquiry
0.25g ≥97% 3 In Stock Beijing Inquiry

1141669-59-1 / 4-benzyl-1,4-oxazepane-2-carboxylic acid

4-BENZYL-2-HOMOMORPHOLINECARBOXYLIC ACID | 4-Benzyl-1,4-oxazepane-2-carboxylic acid | MFCD11656814

Standard CAS: 1141669-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1141669-59-1
Multi CAS
No
Molecular Formula
C13H17NO3
Molecular Weight
235.280000
Exact Mass
235.120843
SMILES
C1CN(CC(OC1)C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO3/c15-13(16)12-10-14(7-4-8-17-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKey
QMPCKMUMSFXJQD-UHFFFAOYSA-N
Synonyms
4-BENZYL-2-HOMOMORPHOLINECARBOXYLIC ACID 4-Benzyl-1,4-oxazepane-2-carboxylic acid MFCD11656814 1,4-Oxazepine-2-carboxylic acid, hexahydro-4-(phenylmethyl)- 4-Benzyl-2-homomorpholinecarboxylicAcid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.71
TPSA
49.77

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
-0.9
Consensus LogP
0.55
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3.19

Drug-likeness / Medicinal Chemistry

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

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