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CAS 90944-01-7 1-(3,4-DICHLOROPHENYL)BUTAN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 90944-01-7

1-(3,4-DICHLOROPHENYL)BUTAN-1-AMINE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-203695
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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 90944-01-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

90944-01-7 / 1-(3,4-dichlorophenyl)butan-1-amine;hydrochloride

Standard CAS: 90944-01-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90944-01-7
Multi CAS
Yes
Molecular Formula
C10H14CL3N
Molecular Weight
254.600000
Exact Mass
253.019183
InChI
InChI=1S/C10H13Cl2N.ClH/c1-2-3-10(13)7-4-5-8(11)9(12)6-7;/h4-6,10H,2-3,13H2,1H3;1H
InChIKey
GVPJQUXPUXYTFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.55
TPSA
26.02

LogP / Solubility

WLOGP
4.22
MLOGP
3.72
XLogP3
4.22
Consensus LogP
4.05
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

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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