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CAS 4156-59-6 3,4,5-TRIMETHOXYBENZO-AMIDITE HYDROCLORIDE molecular structure lightbox
CAS RN: 4156-59-6

3,4,5-TRIMETHOXYBENZO-AMIDITE HYDROCLORIDE

  • Product code: SSC-149953
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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: 5g
  • 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 4156-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

4156-59-6 / 3,4,5-trimethoxybenzenecarboximidamide;hydrochloride

Standard CAS: 4156-59-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4156-59-6
Multi CAS
No
Molecular Formula
C10H15CLN2O3
Molecular Weight
246.690000
Exact Mass
246.077120
InChI
InChI=1S/C10H14N2O3.ClH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;/h4-5H,1-3H3,(H3,11,12);1H
InChIKey
XRKLJARSCWCCKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.36
TPSA
77.56

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.42
Consensus LogP
1.36
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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