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CAS 1141669-63-7 4-Cbz-2-homomorpholinecarboxylic Acid molecular structure lightbox
CAS RN: 1141669-63-7

4-Cbz-2-homomorpholinecarboxylic Acid

  • Product code: SSC-014039
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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, 0.25g, 0.1g, 5g
  • Available purity: >95%
  • 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 1141669-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1141669-63-7 / 4-phenylmethoxycarbonyl-1,4-oxazepane-2-carboxylic acid

4-CBZ-2-HOMOMORPHOLINECARBOXYLIC ACID | 4-((Benzyloxy)carbonyl)-1,4-oxazepane-2-carboxylic acid | MFCD11656816

Standard CAS: 1141669-63-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1141669-63-7
Multi CAS
Yes
Molecular Formula
C14H17NO5
Molecular Weight
279.290000
Exact Mass
279.110673
SMILES
C1CN(CC(OC1)C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO5/c16-13(17)12-9-15(7-4-8-19-12)14(18)20-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)
InChIKey
AJQVXDQJBBKRTD-UHFFFAOYSA-N
Synonyms
4-CBZ-2-HOMOMORPHOLINECARBOXYLIC ACID 4-((Benzyloxy)carbonyl)-1,4-oxazepane-2-carboxylic acid MFCD11656816 4-[(BENZYLOXY)CARBONYL]-1,4-OXAZEPANE-2-CARBOXYLIC ACID 4-phenylmethoxycarbonyl-1,4-oxazepane-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.19
TPSA
76.07

LogP / Solubility

WLOGP
1.5
MLOGP
1.33
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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