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CAS 61040-81-1 3,5-DIMETHOXY-4-METHYLBENZOIC ACID molecular structure lightbox
CAS RN: 61040-81-1

3,5-DIMETHOXY-4-METHYLBENZOIC ACID

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260504 1g In stock Inquiry
Batchno.20250123 25g In stock Inquiry
Batchno.20251018 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250708 1ml In stock Inquiry
  • Product code: SSC-169803
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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: 25g
  • 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 61040-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

61040-81-1 / 3,5-dimethoxy-4-methylbenzoic acid

Standard CAS: 61040-81-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61040-81-1
Multi CAS
Yes
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChIKey
QIBMVRYNEXOCCF-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
3
H-bond donors
1
Molar refractivity
51.24
TPSA
55.76

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.8
Consensus LogP
1.67
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.7

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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