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CAS 35202-55-2 (3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride molecular structure lightbox
CAS RN: 35202-55-2

(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-142070
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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: ＞97%
  • 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 35202-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

35202-55-2 / (3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride

Standard CAS: 35202-55-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35202-55-2
Multi CAS
Yes
Molecular Formula
C11H16CLNO2
Molecular Weight
229.700000
Exact Mass
229.086956
InChI
InChI=1S/C11H15NO2.ClH/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2;/h4-5,8H,3,6,12H2,1-2H3;1H
InChIKey
UWGJJMDXKWGAED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.29
TPSA
44.48

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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