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CAS 107885-67-6 (R)-3-Amino-Hexahydro-1H-Azepin molecular structure lightbox
CAS RN: 107885-67-6

(R)-3-Amino-Hexahydro-1H-Azepin

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-009217
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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 107885-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

107885-67-6 / (3S)-azepan-3-amine

Azepan-3-amine | DTXSID70373374 | RefChem:320282

Standard CAS: 107885-67-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107885-67-6
Multi CAS
Yes
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
SMILES
C1CCNC[C@H](C1)N
InChI
InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2/t6-/m0/s1
InChIKey
WJUBYASTGWKFHK-LURJTMIESA-N
Synonyms
Azepan-3-amine DTXSID70373374 RefChem:320282 DTXCID10324406 3-Aminohomopiperidine

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.7
TPSA
38.05

LogP / Solubility

WLOGP
0.09
MLOGP
0.07
XLogP3
-0.2
Consensus LogP
-0.01
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-3.35

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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