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CAS 477600-71-8 3-bis(4-Methylbenzoyloxy)succinate) molecular structure lightbox
CAS RN: 477600-71-8

3-bis(4-Methylbenzoyloxy)succinate)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260323 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251213 1g In stock Shanghai Inquiry
Batchno.20260428 25g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251013 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-154703
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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 477600-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

477600-71-8 / 1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid

Standard CAS: 477600-71-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
477600-71-8
Multi CAS
Yes
Molecular Formula
C34H40N2O8
Molecular Weight
604.700000
Exact Mass
604.278466
InChI
InChI=1S/C20H18O8.C14H22N2/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);3-7,12,14-15H,8-11H2,1-2H3
InChIKey
KSSMVGPZPYBDAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
3
Molar refractivity
164.38
TPSA
142.47

LogP / Solubility

WLOGP
4.34
MLOGP
3.87
XLogP3
4.34
Consensus LogP
4.18
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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