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CAS 162705-07-9 (Z)-2-Methoxy-5-(3,4,5-Trimethoxystyryl)Aniline molecular structure lightbox
CAS RN: 162705-07-9

(Z)-2-Methoxy-5-(3,4,5-Trimethoxystyryl)Aniline

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 100mg In stock Shanghai Inquiry
Batchno.20260101 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251015 1g In stock Shanghai Inquiry
Batchno.20250416 250mg In stock Shanghai Inquiry
  • Product code: SSC-070095
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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 162705-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

162705-07-9 / 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline

Standard CAS: 162705-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162705-07-9
Multi CAS
No
Molecular Formula
C18H21NO4
Molecular Weight
315.400000
Exact Mass
315.147058
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)N
InChI
InChI=1S/C18H21NO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,19H2,1-4H3/b6-5-
InChIKey
QSAMWSFELUCKOA-WAYWQWQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
92.43
TPSA
62.94

LogP / Solubility

WLOGP
3.47
MLOGP
3.07
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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