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CAS 1951-38-8 2-METHOXYISOPHTHALIC ACID molecular structure lightbox
CAS RN: 1951-38-8

2-METHOXYISOPHTHALIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-091998
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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: ＞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 1951-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1951-38-8 / 2-methoxybenzene-1,3-dicarboxylic acid

Standard CAS: 1951-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951-38-8
Multi CAS
No
Molecular Formula
C9H8O5
Molecular Weight
196.160000
Exact Mass
196.037173
SMILES
COC1=C(C=CC=C1C(=O)O)C(=O)O
InChI
InChI=1S/C9H8O5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
ZRWAPLTWCQQSAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.91
TPSA
83.83

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

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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