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CAS 3951-10-8 4-Methoxyphenylacetic Anhydride molecular structure lightbox
CAS RN: 3951-10-8

4-Methoxyphenylacetic Anhydride

  • Product code: SSC-147176
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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: ≥98%
  • 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 3951-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

3951-10-8 / [2-(4-methoxyphenyl)acetyl] 2-(4-methoxyphenyl)acetate

Standard CAS: 3951-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3951-10-8
Multi CAS
Yes
Molecular Formula
C18H18O5
Molecular Weight
314.300000
Exact Mass
314.115424
InChI
InChI=1S/C18H18O5/c1-21-15-7-3-13(4-8-15)11-17(19)23-18(20)12-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey
KYCAEIXHUXBNTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
84.5
TPSA
61.83

LogP / Solubility

WLOGP
2.56
MLOGP
2.27
XLogP3
3
Consensus LogP
2.61
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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