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CAS 1630906-76-1 CyclobutanaMine, 3-(3,4-diMethoxyphenoxy)-, hydrochloride (1:1), trans- molecular structure lightbox
CAS RN: 1630906-76-1

CyclobutanaMine, 3-(3,4-diMethoxyphenoxy)-, hydrochloride (1:1), trans-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-070758
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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 1630906-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1630906-76-1 / 3-(3,4-dimethoxyphenoxy)cyclobutan-1-amine;hydrochloride

Standard CAS: 1630906-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630906-76-1
Multi CAS
No
Molecular Formula
C12H18ClNO3
Molecular Weight
259.730000
Exact Mass
259.097521
SMILES
COC1=C(C=C(C=C1)OC2CC(C2)N)OC.Cl
InChI
InChI=1S/C12H17NO3.ClH/c1-14-11-4-3-9(7-12(11)15-2)16-10-5-8(13)6-10;/h3-4,7-8,10H,5-6,13H2,1-2H3;1H
InChIKey
IHJAGHAHQCNOTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.42
TPSA
53.71

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.99
Consensus LogP
1.91
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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