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CAS 1186663-62-6 2-Homomorpholinecarboxylic Acid Hydrochloride molecular structure lightbox
CAS RN: 1186663-62-6

2-Homomorpholinecarboxylic Acid Hydrochloride

  • Product code: SSC-018592
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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 1186663-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

1186663-62-6 / 1,4-oxazepane-2-carboxylic acid;hydrochloride

2-HOMOMORPHOLINECARBOXYLIC ACID HYDROCHLORIDE | 1,4-Oxazepane-2-carboxylic acid hydrochloride | MFCD11656812

Standard CAS: 1186663-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186663-62-6
Multi CAS
Yes
Molecular Formula
C6H12ClNO3
Molecular Weight
181.620000
Exact Mass
181.050571
SMILES
C1CNCC(OC1)C(=O)O.Cl
InChI
InChI=1S/C6H11NO3.ClH/c8-6(9)5-4-7-2-1-3-10-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKey
VKTJIUXOZDVKNG-UHFFFAOYSA-N
Synonyms
2-HOMOMORPHOLINECARBOXYLIC ACID HYDROCHLORIDE 1,4-Oxazepane-2-carboxylic acid hydrochloride MFCD11656812 1,4-oxazepane-2-carboxylic acid;hydrochloride 2-homomorpholinecarboxylic acid hcl

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.11
TPSA
58.56

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.12
XLogP3
-0.13
Consensus LogP
-0.13
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.92

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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