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CAS 1391455-00-7 (R)-CYCLOPROPYL(3-METHOXYPHENYL)METHANAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1391455-00-7

(R)-CYCLOPROPYL(3-METHOXYPHENYL)METHANAMINE HYDROCHLORIDE

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 100mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 100mg Out of stock Inquiry
  • Product code: SSC-049480
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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: 0.25g
  • 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 1391455-00-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1391455-00-7 / (R)-cyclopropyl-(3-methoxyphenyl)methanamine;hydrochloride

Standard CAS: 1391455-00-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391455-00-7
Multi CAS
No
Molecular Formula
C11H16ClNO
Molecular Weight
213.700000
Exact Mass
213.092042
SMILES
COC1=CC=CC(=C1)[C@@H](C2CC2)N.Cl
InChI
InChI=1S/C11H15NO.ClH/c1-13-10-4-2-3-9(7-10)11(12)8-5-6-8;/h2-4,7-8,11H,5-6,12H2,1H3;1H/t11-;/m1./s1
InChIKey
YZEPXOHQBWEEEY-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.89
TPSA
35.25

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

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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