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CAS 2150-37-0 Methyl 3,5-Dimethoxybenzoate molecular structure lightbox
CAS RN: 2150-37-0

Methyl 3,5-Dimethoxybenzoate

  • Product code: SSC-103071
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2150-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Shanghai Inquiry
500g >98% 5 In Stock Beijing Inquiry

2150-37-0 / methyl 3,5-dimethoxybenzoate

Standard CAS: 2150-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2150-37-0
Multi CAS
No
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
SMILES
COC1=CC(=CC(=C1)C(=O)OC)OC
InChI
InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
InChIKey
YXUIOVUOFQKWDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.89
TPSA
44.76

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
2.1
Consensus LogP
1.63
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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