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CAS 272785-31-6 6-formyl-3-hydroxy-2-methoxyphenyl acetat molecular structure lightbox
CAS RN: 272785-31-6

6-formyl-3-hydroxy-2-methoxyphenyl acetat

  • Product code: SSC-126240
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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 272785-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

272785-31-6 / (6-formyl-3-hydroxy-2-methoxyphenyl) acetate

Standard CAS: 272785-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
272785-31-6
Multi CAS
No
Molecular Formula
C10H10O5
Molecular Weight
210.180000
Exact Mass
210.052823
SMILES
CC(=O)OC1=C(C=CC(=C1OC)O)C=O
InChI
InChI=1S/C10H10O5/c1-6(12)15-9-7(5-11)3-4-8(13)10(9)14-2/h3-5,13H,1-2H3
InChIKey
LPIRKPUURBAMMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.36
TPSA
72.83

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
0.8
Consensus LogP
0.98
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-3.19

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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