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CAS 1141669-57-9 Methyl 2-Homomorpholinecarboxylate molecular structure lightbox
CAS RN: 1141669-57-9

Methyl 2-Homomorpholinecarboxylate

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250926 100mg Out of stock Inquiry
Batchno.20250308 1g Out of stock Inquiry
Batchno.20251008 250mg Out of stock Inquiry
  • Product code: SSC-014036
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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, 1g, 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 1141669-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

1141669-57-9 / methyl 1,4-oxazepane-2-carboxylate

Methyl 1,4-oxazepane-2-carboxylate | METHYL 2-HOMOMORPHOLINECARBOXYLATE | 1,4-Oxazepine-2-carboxylic acid, hexahydro-, methyl ester

Standard CAS: 1141669-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1141669-57-9
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
SMILES
COC(=O)C1CNCCCO1
InChI
InChI=1S/C7H13NO3/c1-10-7(9)6-5-8-3-2-4-11-6/h6,8H,2-5H2,1H3
InChIKey
NXIGDQYWERITIA-UHFFFAOYSA-N
Synonyms
Methyl 1,4-oxazepane-2-carboxylate METHYL 2-HOMOMORPHOLINECARBOXYLATE 1,4-Oxazepine-2-carboxylic acid, hexahydro-, methyl ester MFCD11656813 Methyl1,4-oxazepane-2-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.24
TPSA
47.56

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.3
Consensus LogP
-0.39
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.02

Drug-likeness / Medicinal Chemistry

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

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