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CAS 1071594-49-4 4-Methoxy-hexahydro-1H-az… molecular structure lightbox
CAS RN: 1071594-49-4

4-Methoxy-hexahydro-1H-az…

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260320 100mg Out of stock Inquiry
Batchno.20250209 1g Out of stock Inquiry
Batchno.20260320 250mg Out of stock Inquiry
  • Product code: SSC-008616
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1071594-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1071594-49-4 / 4-methoxyazepane

4-methoxyazepane | 4-Methoxy-hexahydro-1H-azepine | MFCD17015864

Standard CAS: 1071594-49-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1071594-49-4
Multi CAS
Yes
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
COC1CCCNCC1
InChI
InChI=1S/C7H15NO/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKey
MBGKJOCBUBJWCC-UHFFFAOYSA-N
Synonyms
4-methoxyazepane 4-Methoxy-hexahydro-1H-azepine MFCD17015864 SCHEMBL7090218 CHEMBL4585958

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.52
TPSA
21.26

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.6
Consensus LogP
0.68
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-2.96

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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