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CAS 1156542-80-1 1156542-80-1 molecular structure lightbox
CAS RN: 1156542-80-1

1156542-80-1

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-015421
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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 1156542-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1156542-80-1 / N,N-dibenzyl-1,3-dimethoxypropan-2-amine

N,N-Dibenzyl-1,3-dimethoxypropan-2-amine | MFCD32815501 | DIBENZYL(1,3-DIMETHOXYPROPAN-2-YL)AMINE

Standard CAS: 1156542-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1156542-80-1
Multi CAS
No
Molecular Formula
C19H25NO2
Molecular Weight
299.400000
Exact Mass
299.188529
SMILES
COCC(COC)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C19H25NO2/c1-21-15-19(16-22-2)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKey
KEGXRIJVKWNGJA-UHFFFAOYSA-N
Synonyms
N,N-Dibenzyl-1,3-dimethoxypropan-2-amine MFCD32815501 DIBENZYL(1,3-DIMETHOXYPROPAN-2-YL)AMINE SCHEMBL28540834 SY286556

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
89.67
TPSA
21.7

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3
Consensus LogP
3.1
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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